N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride

C14H29ClN2O2S — CID 119958818

IUPACN-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)CC2CCCCC2)CCCCC1
InChIInChI=1S/C14H28N2O2S.ClH/c15-14(9-5-2-6-10-14)12-16-19(17,18)11-13-7-3-1-4-8-13;/h13,16H,1-12,15H2;1H
InChIKeyNJMKXMISHRBTMH-UHFFFAOYSA-N
MW324.92 g/mol
LogP2.57
Rot. Bonds5

About N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride (PubChem CID 119958818) has the molecular formula C14H29ClN2O2S and a molecular weight of 324.92 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
PubChem CID119958818
Molecular FormulaC14H29ClN2O2S
Molecular Weight324.92 g/mol
Exact Mass324.16
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)CC2CCCCC2)CCCCC1
InChIInChI=1S/C14H28N2O2S.ClH/c15-14(9-5-2-6-10-14)12-16-19(17,18)11-13-7-3-1-4-8-13;/h13,16H,1-12,15H2;1H
InChIKeyNJMKXMISHRBTMH-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.92
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride (CID 119958818) is N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride is Cl.NC1(CNS(=O)(=O)CC2CCCCC2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride?
The InChIKey is NJMKXMISHRBTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S.ClH/c15-14(9-5-2-6-10-14)12-16-19(17,18)11-13-7-3-1-4-8-13;/h13,16H,1-12,15H2;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride has a molecular weight of 324.92 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119958818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).