N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide

C15H24N2O4S2 — CID 119986184

IUPACN-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
SMILESCCS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCCC2CN)c1
InChIInChI=1S/C15H24N2O4S2/c1-2-22(18,19)13-7-5-8-14(10-13)23(20,21)17-15-9-4-3-6-12(15)11-16/h5,7-8,10,12,15,17H,2-4,6,9,11,16H2,1H3
InChIKeySRRMACFZIWQKIZ-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide

N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide (PubChem CID 119986184) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
PubChem CID119986184
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
SMILESCCS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCCC2CN)c1
InChIInChI=1S/C15H24N2O4S2/c1-2-22(18,19)13-7-5-8-14(10-13)23(20,21)17-15-9-4-3-6-12(15)11-16/h5,7-8,10,12,15,17H,2-4,6,9,11,16H2,1H3
InChIKeySRRMACFZIWQKIZ-UHFFFAOYSA-N
XLogP1.28
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[2-(aminomethyl)cyclohexyl]-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 119986083
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 119986214
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 119986408
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119986348
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 124690616
N-[2-(aminomethyl)cyclohexyl]-3-bromo-4-nitrobenzenesulfonamide
CID 119986021

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide (CID 119986184) is N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide is CCS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCCC2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide?
The InChIKey is SRRMACFZIWQKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-2-22(18,19)13-7-5-8-14(10-13)23(20,21)17-15-9-4-3-6-12(15)11-16/h5,7-8,10,12,15,17H,2-4,6,9,11,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide?
N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide has a molecular weight of 360.50 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide is sourced from PubChem (CID 119986184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).