N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide

C15H24N2O4S — CID 59537762

IUPACN-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide
SMILESCOc1cccc(OC)c1CS(=O)(=O)NC1CCCCC1N
InChIInChI=1S/C15H24N2O4S/c1-20-14-8-5-9-15(21-2)11(14)10-22(18,19)17-13-7-4-3-6-12(13)16/h5,8-9,12-13,17H,3-4,6-7,10,16H2,1-2H3
InChIKeyZNGIPWZUKXUTLE-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.39
Rot. Bonds6

About N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide

N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide (PubChem CID 59537762) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide
PubChem CID59537762
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide
SMILESCOc1cccc(OC)c1CS(=O)(=O)NC1CCCCC1N
InChIInChI=1S/C15H24N2O4S/c1-20-14-8-5-9-15(21-2)11(14)10-22(18,19)17-13-7-4-3-6-12(13)16/h5,8-9,12-13,17H,3-4,6-7,10,16H2,1-2H3
InChIKeyZNGIPWZUKXUTLE-UHFFFAOYSA-N
XLogP1.39
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide (CID 59537762) is N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide is COc1cccc(OC)c1CS(=O)(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide?
The InChIKey is ZNGIPWZUKXUTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-20-14-8-5-9-15(21-2)11(14)10-22(18,19)17-13-7-4-3-6-12(13)16/h5,8-9,12-13,17H,3-4,6-7,10,16H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide?
N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 59537762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).