N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide

C12H18N4O2S — CID 115752573

IUPACN-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H18N4O2S/c1-12(2,8-14)9-16(3)19(17,18)11-5-4-10(6-13)15-7-11/h4-5,7H,8-9,14H2,1-3H3
InChIKeyIYLCUGQELWTBAS-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.56
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide (PubChem CID 115752573) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
PubChem CID115752573
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H18N4O2S/c1-12(2,8-14)9-16(3)19(17,18)11-5-4-10(6-13)15-7-11/h4-5,7H,8-9,14H2,1-3H3
InChIKeyIYLCUGQELWTBAS-UHFFFAOYSA-N
XLogP0.56
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide
CID 120712257
N-(3-amino-2,2-dimethylpropyl)-3-cyano-N-methylbenzenesulfonamide
CID 79652328
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
CID 115621452
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 114613874
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide (CID 115752573) is N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide is CN(CC(C)(C)CN)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide?
The InChIKey is IYLCUGQELWTBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-12(2,8-14)9-16(3)19(17,18)11-5-4-10(6-13)15-7-11/h4-5,7H,8-9,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 115752573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).