N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride

C12H26ClN3O3S — CID 119590776

IUPACN-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)NC(CN)C1CCCCC1)S(C)(=O)=O.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-15(19(2,17)18)9-12(16)14-11(8-13)10-6-4-3-5-7-10;/h10-11H,3-9,13H2,1-2H3,(H,14,16);1H
InChIKeyHCFDQGBDOKWGSW-UHFFFAOYSA-N
MW327.88 g/mol
LogP0.32
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride (PubChem CID 119590776) has the molecular formula C12H26ClN3O3S and a molecular weight of 327.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
PubChem CID119590776
Molecular FormulaC12H26ClN3O3S
Molecular Weight327.88 g/mol
Exact Mass327.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)NC(CN)C1CCCCC1)S(C)(=O)=O.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-15(19(2,17)18)9-12(16)14-11(8-13)10-6-4-3-5-7-10;/h10-11H,3-9,13H2,1-2H3,(H,14,16);1H
InChIKeyHCFDQGBDOKWGSW-UHFFFAOYSA-N
XLogP0.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2-(dimethylamino)acetamide
CID 106737390
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride
CID 119589855
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride
CID 119616334
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119590156
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119611051
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
CID 81486060
5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 122056670
N-(2-amino-1-cyclopropylethyl)-N',N'-dimethylpropanediamide;hydrochloride
CID 119613235
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119589615

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride (CID 119590776) is N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride is CN(CC(=O)NC(CN)C1CCCCC1)S(C)(=O)=O.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride?
The InChIKey is HCFDQGBDOKWGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S.ClH/c1-15(19(2,17)18)9-12(16)14-11(8-13)10-6-4-3-5-7-10;/h10-11H,3-9,13H2,1-2H3,(H,14,16);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119590776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).