2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide

C12H15N3O2S2 — CID 107270957

IUPAC2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cccnc2C#N)CCC1
InChIInChI=1S/C12H15N3O2S2/c1-18-12(5-3-6-12)9-15-19(16,17)11-4-2-7-14-10(11)8-13/h2,4,7,15H,3,5-6,9H2,1H3
InChIKeyMRGWXRDDOTXXBN-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.52
Rot. Bonds5

About 2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide

2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide (PubChem CID 107270957) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
PubChem CID107270957
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cccnc2C#N)CCC1
InChIInChI=1S/C12H15N3O2S2/c1-18-12(5-3-6-12)9-15-19(16,17)11-4-2-7-14-10(11)8-13/h2,4,7,15H,3,5-6,9H2,1H3
InChIKeyMRGWXRDDOTXXBN-UHFFFAOYSA-N
XLogP1.52
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 106546512
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 106546061
3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 114115960
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-3-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107271035
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545620
2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056
2-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093329
3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide (CID 107270957) is 2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide is CSC1(CNS(=O)(=O)c2cccnc2C#N)CCC1.
What is the InChIKey of 2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide?
The InChIKey is MRGWXRDDOTXXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-18-12(5-3-6-12)9-15-19(16,17)11-4-2-7-14-10(11)8-13/h2,4,7,15H,3,5-6,9H2,1H3.
What are the key properties of 2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide?
2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 107270957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).