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CAS 1075715-48-8 (S,E)-N-(cyclopropylmethylene)-2-methylpropane-2-sulfinamide molecular structure lightbox
CAS RN: 1075715-48-8

(S,E)-N-(cyclopropylmethylene)-2-methylpropane-2-sulfinamide

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251221 100mg In stock Shandong Inquiry
Batchno.20260217 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1075715-48-8
  • Purity/Analytical Methods: >99.0%
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1075715-48-8 / (S)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide

(R,E)-N-(cyclopropylmethylene)-2-methylpropane-2-sulfinamide | (E)-N-(cyclopropylmethylene)-2-methylpropane-2-sulfinamide | (S)-N-(CYCLOPROPYLMETHYLENE)-2-METHYLPROPANE-2-SULFINAMIDE

Standard CAS: 1075715-48-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1075715-48-8
Multi CAS
Yes
Molecular Formula
C8H15NOS
Molecular Weight
173.280000
Exact Mass
173.087435
SMILES
CC(C)(C)[S@](=O)N=CC1CC1
InChI
InChI=1S/C8H15NOS/c1-8(2,3)11(10)9-6-7-4-5-7/h6-7H,4-5H2,1-3H3/b9-6+
InChIKey
RJWKIBPXFVCJQH-RMKNXTFCSA-N
Synonyms
(R,E)-N-(cyclopropylmethylene)-2-methylpropane-2-sulfinamide (E)-N-(cyclopropylmethylene)-2-methylpropane-2-sulfinamide (S)-N-(CYCLOPROPYLMETHYLENE)-2-METHYLPROPANE-2-SULFINAMIDE MFCD19200032 AKOS006343919

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
49.11
TPSA
29.43

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
0.8
Consensus LogP
1.47
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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