6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide

C12H15N3O2S — CID 115621452

IUPAC6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H15N3O2S/c1-15(9-10-3-2-4-10)18(16,17)12-6-5-11(7-13)14-8-12/h5-6,8,10H,2-4,9H2,1H3
InChIKeyKJRGBWAEOZGDGN-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.37
Rot. Bonds4

About 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide

6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide (PubChem CID 115621452) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
PubChem CID115621452
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H15N3O2S/c1-15(9-10-3-2-4-10)18(16,17)12-6-5-11(7-13)14-8-12/h5-6,8,10H,2-4,9H2,1H3
InChIKeyKJRGBWAEOZGDGN-UHFFFAOYSA-N
XLogP1.37
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridine-3-sulfonamide
CID 232710
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile
CID 5703330
N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 668955
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3244281
2-Cyano-1-methylpyridin-1-ium methanesulfonate
CID 112866
3-[(Pyrrolidin-1-yl)sulphonyl]pyridine
CID 13063498
2-Methylpyridine-3-sulfonamide
CID 22409057
6-Methylpyridine-3-sulfonic acid
CID 271587
1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
CID 4296455
(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-tert-butylsulfonylprop-2-enenitrile
CID 44607969
N,N-dimethyl-2-pyridin-2-ylbenzenesulfonamide
CID 137635640

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide (CID 115621452) is 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide is CN(CC1CCC1)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is KJRGBWAEOZGDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15(9-10-3-2-4-10)18(16,17)12-6-5-11(7-13)14-8-12/h5-6,8,10H,2-4,9H2,1H3.
What are the key properties of 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide?
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 115621452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).