2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide

C13H13N3O2S2 — CID 106545698

IUPAC2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cccnc2C#N)s1
InChIInChI=1S/C13H13N3O2S2/c1-9-5-6-12(19-9)10(2)16-20(17,18)13-4-3-7-15-11(13)8-14/h3-7,10,16H,1-2H3
InChIKeyGOMRKCLYRXUFRK-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.36
Rot. Bonds4

About 2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide

2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 106545698) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID106545698
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cccnc2C#N)s1
InChIInChI=1S/C13H13N3O2S2/c1-9-5-6-12(19-9)10(2)16-20(17,18)13-4-3-7-15-11(13)8-14/h3-7,10,16H,1-2H3
InChIKeyGOMRKCLYRXUFRK-UHFFFAOYSA-N
XLogP2.36
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 106545998
3-(ethylamino)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
CID 103305547
N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide
CID 106545736
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62673071
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 106596248
2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide
CID 106596242
tert-butyl (2R)-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 106546546
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide (CID 106545698) is 2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cccnc2C#N)s1.
What is the InChIKey of 2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is GOMRKCLYRXUFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-9-5-6-12(19-9)10(2)16-20(17,18)13-4-3-7-15-11(13)8-14/h3-7,10,16H,1-2H3.
What are the key properties of 2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide?
2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106545698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).