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CAS 1354000-34-2 Pyridine-2-sulfonic acid (S)-pyrrolidin-3-ylaMide hydrochloride molecular structure lightbox
CAS RN: 1354000-34-2

Pyridine-2-sulfonic acid (S)-pyrrolidin-3-ylaMide hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1354000-34-2
  • Purity/Analytical Methods: >99.0%
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1354000-34-2 / N-[(3S)-pyrrolidin-3-yl]pyridine-2-sulfonamide;hydrochloride

Standard CAS: 1354000-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354000-34-2
Multi CAS
No
Molecular Formula
C9H14ClN3O2S
Molecular Weight
263.750000
Exact Mass
263.049526
SMILES
C1CNC[C@H]1NS(=O)(=O)C2=CC=CC=N2.Cl
InChI
InChI=1S/C9H13N3O2S.ClH/c13-15(14,9-3-1-2-5-11-9)12-8-4-6-10-7-8;/h1-3,5,8,10,12H,4,6-7H2;1H/t8-;/m0./s1
InChIKey
YZXHMVQWDGSQSE-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.08
TPSA
71.09

LogP / Solubility

WLOGP
0.14
MLOGP
0.13
XLogP3
0.14
Consensus LogP
0.14
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-4.23

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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