2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide

C14H13N3O2S2 — CID 106545411

IUPAC2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H13N3O2S2/c15-9-13-14(4-1-7-16-13)21(18,19)17(11-5-6-11)10-12-3-2-8-20-12/h1-4,7-8,11H,5-6,10H2
InChIKeyNMOHFOIMXJEODK-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.37
Rot. Bonds5

About 2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide

2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 106545411) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID106545411
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H13N3O2S2/c15-9-13-14(4-1-7-16-13)21(18,19)17(11-5-6-11)10-12-3-2-8-20-12/h1-4,7-8,11H,5-6,10H2
InChIKeyNMOHFOIMXJEODK-UHFFFAOYSA-N
XLogP2.37
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 61449336
2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 106545724
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 106546859
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 65207195
3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 61111603
2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90610877
N-benzyl-2-[cyclopropyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4998790
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide (CID 106545411) is 2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is NMOHFOIMXJEODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c15-9-13-14(4-1-7-16-13)21(18,19)17(11-5-6-11)10-12-3-2-8-20-12/h1-4,7-8,11H,5-6,10H2.
What are the key properties of 2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106545411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).