N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride

C12H26ClN3O3S — CID 120507600

IUPACN-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
SMILESCC1CCC(NS(=O)(=O)CC(=O)N[C@@H](C)CN)CC1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-9-3-5-11(6-4-9)15-19(17,18)8-12(16)14-10(2)7-13;/h9-11,15H,3-8,13H2,1-2H3,(H,14,16);1H/t9?,10-,11?;/m0./s1
InChIKeyFABPQYBCXVXOAQ-FNLIVBFMSA-N
MW327.88 g/mol
LogP0.37
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride (PubChem CID 120507600) has the molecular formula C12H26ClN3O3S and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
PubChem CID120507600
Molecular FormulaC12H26ClN3O3S
Molecular Weight327.88 g/mol
Exact Mass327.14
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
SMILESCC1CCC(NS(=O)(=O)CC(=O)N[C@@H](C)CN)CC1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-9-3-5-11(6-4-9)15-19(17,18)8-12(16)14-10(2)7-13;/h9-11,15H,3-8,13H2,1-2H3,(H,14,16);1H/t9?,10-,11?;/m0./s1
InChIKeyFABPQYBCXVXOAQ-FNLIVBFMSA-N
XLogP0.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride with MolForge

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Related Compounds

ethyl (2S)-2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]propanoate
CID 52873250
N-(4-aminocyclohexyl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119479042
2-[(4-methylcyclohexyl)sulfamoyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 95284178
N-[1-(aminomethyl)cyclopentyl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119568443
N-(2-amino-2-ethylbutyl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119643886
2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-3-phenylpropanoic acid
CID 119165753
2-[(4-methylcyclohexyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 154747604
N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride
CID 131134215
2-[(4-methylcyclohexyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575817
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 102553532
N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
CID 120505963
N-methyl-2-[(4-methylcyclohexyl)sulfamoyl]-N-piperidin-4-ylacetamide;hydrochloride
CID 119444541

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride (CID 120507600) is N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride is CC1CCC(NS(=O)(=O)CC(=O)N[C@@H](C)CN)CC1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride?
The InChIKey is FABPQYBCXVXOAQ-FNLIVBFMSA-N. The full InChI is InChI=1S/C12H25N3O3S.ClH/c1-9-3-5-11(6-4-9)15-19(17,18)8-12(16)14-10(2)7-13;/h9-11,15H,3-8,13H2,1-2H3,(H,14,16);1H/t9?,10-,11?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride is sourced from PubChem (CID 120507600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).