N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide

C16H26N2O2S — CID 43598214

IUPACN-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-6-14-7-9-15(10-8-14)21(19,20)18-13-16(17)11-4-3-5-12-16/h7-10,18H,2-6,11-13,17H2,1H3
InChIKeyIXROYKYGWKLYEI-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.58
Rot. Bonds6

About N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide

N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide (PubChem CID 43598214) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
PubChem CID43598214
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-6-14-7-9-15(10-8-14)21(19,20)18-13-16(17)11-4-3-5-12-16/h7-10,18H,2-6,11-13,17H2,1H3
InChIKeyIXROYKYGWKLYEI-UHFFFAOYSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride
CID 119958914
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 119958876
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
CID 119958825
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226
N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
CID 113411790
4-N-[(1-aminocycloheptyl)methyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875665
N-[1-(hydroxymethyl)cyclopentyl]-4-propylbenzenesulfonamide
CID 62520894

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide (CID 43598214) is N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide?
The InChIKey is IXROYKYGWKLYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-6-14-7-9-15(10-8-14)21(19,20)18-13-16(17)11-4-3-5-12-16/h7-10,18H,2-6,11-13,17H2,1H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide?
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 43598214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).