N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide

C15H24N2O3S — CID 120998690

IUPACN-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide
SMILESCCOc1cccc(S(=O)(=O)NCC2(N)CCCCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-2-20-13-7-6-8-14(11-13)21(18,19)17-12-15(16)9-4-3-5-10-15/h6-8,11,17H,2-5,9-10,12,16H2,1H3
InChIKeyYYRTYHWMNXPFDZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.03
Rot. Bonds6

About N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide

N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide (PubChem CID 120998690) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide
PubChem CID120998690
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide
SMILESCCOc1cccc(S(=O)(=O)NCC2(N)CCCCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-2-20-13-7-6-8-14(11-13)21(18,19)17-12-15(16)9-4-3-5-10-15/h6-8,11,17H,2-5,9-10,12,16H2,1H3
InChIKeyYYRTYHWMNXPFDZ-UHFFFAOYSA-N
XLogP2.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119958904
N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide
CID 43598192
N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride
CID 119958914
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride
CID 120998864
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
4-N-[(1-aminocycloheptyl)methyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875665
N-[(1-aminocyclohexyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;hydrochloride
CID 120998697
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226
N-[(1-aminocyclobutyl)methyl]-3-cyanobenzenesulfonamide
CID 113411802
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
CID 43598214

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide (CID 120998690) is N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide is CCOc1cccc(S(=O)(=O)NCC2(N)CCCCC2)c1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide?
The InChIKey is YYRTYHWMNXPFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-20-13-7-6-8-14(11-13)21(18,19)17-12-15(16)9-4-3-5-10-15/h6-8,11,17H,2-5,9-10,12,16H2,1H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide?
N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide is sourced from PubChem (CID 120998690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).