N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide

C15H24N2O4S — CID 59537552

IUPACN-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide
SMILESCOc1cc(CS(=O)(=O)NC2CCCCC2N)cc(OC)c1
InChIInChI=1S/C15H24N2O4S/c1-20-12-7-11(8-13(9-12)21-2)10-22(18,19)17-15-6-4-3-5-14(15)16/h7-9,14-15,17H,3-6,10,16H2,1-2H3
InChIKeyYURFXROQXHNWQY-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.39
Rot. Bonds6

About N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide

N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide (PubChem CID 59537552) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide
PubChem CID59537552
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide
SMILESCOc1cc(CS(=O)(=O)NC2CCCCC2N)cc(OC)c1
InChIInChI=1S/C15H24N2O4S/c1-20-12-7-11(8-13(9-12)21-2)10-22(18,19)17-15-6-4-3-5-14(15)16/h7-9,14-15,17H,3-6,10,16H2,1-2H3
InChIKeyYURFXROQXHNWQY-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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Related Compounds

N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide
CID 59537762
N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
CID 63258881
N-(2-aminocycloheptyl)-3-methoxybenzenesulfonamide
CID 81259849
N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide
CID 59537550
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine
CID 43589856
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369
N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
CID 93453368
N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537672
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980
N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene
CID 87833603

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide (CID 59537552) is N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide is COc1cc(CS(=O)(=O)NC2CCCCC2N)cc(OC)c1.
What is the InChIKey of N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide?
The InChIKey is YURFXROQXHNWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-20-12-7-11(8-13(9-12)21-2)10-22(18,19)17-15-6-4-3-5-14(15)16/h7-9,14-15,17H,3-6,10,16H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-1-(3,5-dimethoxyphenyl)methanesulfonamide?
N-(2-aminocyclohexyl)-1-(3,5-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-(3,5-dimethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 59537552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).