6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide

C10H11N3O2S2 — CID 103698000

IUPAC6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCSC2)cn1
InChIInChI=1S/C10H11N3O2S2/c11-5-8-1-2-10(6-12-8)17(14,15)13-9-3-4-16-7-9/h1-2,6,9,13H,3-4,7H2
InChIKeyDNMCLJNFANIOJL-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.74
Rot. Bonds3

About 6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide

6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide (PubChem CID 103698000) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide
PubChem CID103698000
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCSC2)cn1
InChIInChI=1S/C10H11N3O2S2/c11-5-8-1-2-10(6-12-8)17(14,15)13-9-3-4-16-7-9/h1-2,6,9,13H,3-4,7H2
InChIKeyDNMCLJNFANIOJL-UHFFFAOYSA-N
XLogP0.74
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-cyclooctylpyridine-3-sulfonamide
CID 115602393
6-cyano-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 103653105
6-cyano-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113320215
6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 115602590
cis-(1R,3S)-3-[(6-cyano-3-pyridinyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321509
6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide
CID 115650598
4-hydroxy-N-(thiolan-3-yl)benzenesulfonamide
CID 103063928
N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide
CID 106441981
6-cyano-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 114613875
6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide
CID 114613918
6-cyano-N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 115602600
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide (CID 103698000) is 6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCSC2)cn1.
What is the InChIKey of 6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide?
The InChIKey is DNMCLJNFANIOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c11-5-8-1-2-10(6-12-8)17(14,15)13-9-3-4-16-7-9/h1-2,6,9,13H,3-4,7H2.
What are the key properties of 6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide?
6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide has a molecular weight of 269.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 103698000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).