N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride

C16H27ClN2O2S — CID 120584146

IUPACN-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride
SMILESCl.NCCN(Cc1ccccc1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H26N2O2S.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)21(19,20)14-16-9-5-2-6-10-16;/h1,3-4,7-8,16H,2,5-6,9-14,17H2;1H
InChIKeyGAPMGHLBDZGAOJ-UHFFFAOYSA-N
MW346.92 g/mol
LogP2.78
Rot. Bonds7

About N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride

N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride (PubChem CID 120584146) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride
PubChem CID120584146
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC NameN-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride
SMILESCl.NCCN(Cc1ccccc1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H26N2O2S.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)21(19,20)14-16-9-5-2-6-10-16;/h1,3-4,7-8,16H,2,5-6,9-14,17H2;1H
InChIKeyGAPMGHLBDZGAOJ-UHFFFAOYSA-N
XLogP2.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
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N-(2-aminoethyl)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 106511503
N-(2-aminoethyl)-N-benzyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83048413
N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine
CID 162487705
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CID 57063774

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride (CID 120584146) is N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride is Cl.NCCN(Cc1ccccc1)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride?
The InChIKey is GAPMGHLBDZGAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)21(19,20)14-16-9-5-2-6-10-16;/h1,3-4,7-8,16H,2,5-6,9-14,17H2;1H.
What are the key properties of N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride?
N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 120584146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).