N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide

C13H20N2O2S — CID 60548741

IUPACN-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-11-5-7-12(8-6-11)15(2)18(16,17)13-4-3-9-14-10-13/h3-4,9-12H,5-8H2,1-2H3
InChIKeyONVCJPYUOVBXEU-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.28
Rot. Bonds3

About N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide

N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide (PubChem CID 60548741) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
PubChem CID60548741
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-11-5-7-12(8-6-11)15(2)18(16,17)13-4-3-9-14-10-13/h3-4,9-12H,5-8H2,1-2H3
InChIKeyONVCJPYUOVBXEU-UHFFFAOYSA-N
XLogP2.28
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 141273254
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide
CID 61232982
N-methyl-N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 63297947
N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 86817906
4-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 61435229
2-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 106594079
N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
CID 102873627
N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
N-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-sulfonamide
CID 115272244
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 62151171
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
CID 94151657
3-(2,4-dimethylpiperidin-2-yl)sulfonylpyridine
CID 123777874

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide (CID 60548741) is N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide is CC1CCC(N(C)S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide?
The InChIKey is ONVCJPYUOVBXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-5-7-12(8-6-11)15(2)18(16,17)13-4-3-9-14-10-13/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide?
N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 60548741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).