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CAS 1089663-51-3 N-(2-Thiophenesulfonyl)-L-prolinamide molecular structure lightbox
CAS RN: 1089663-51-3

N-(2-Thiophenesulfonyl)-L-prolinamide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 100mg In stock Shanghai Inquiry
  • Product code: ICTT3080
  • Purity/Analytical Methods: >98.0%(HPLC)
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1089663-51-3 / (2S)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

AKOS008076877 | Z193090886

Standard CAS: 1089663-51-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1089663-51-3
Multi CAS
Yes
Molecular Formula
C9H12N2O3S2
Molecular Weight
260.300000
Exact Mass
260.028935
SMILES
C1C[C@H](N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N
InChI
InChI=1S/C9H12N2O3S2/c10-9(12)7-3-1-5-11(7)16(13,14)8-4-2-6-15-8/h2,4,6-7H,1,3,5H2,(H2,10,12)/t7-/m0/s1
InChIKey
CYXMKNKXCFITFO-ZETCQYMHSA-N
Synonyms
AKOS008076877 Z193090886

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.43
TPSA
80.47

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
0.6
Consensus LogP
0.45
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.03

Drug-likeness / Medicinal Chemistry

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

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