N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride

C12H25ClN2O3S — CID 119614320

IUPACN-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
SMILESCC(C)CS(=O)(=O)CCC(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-9(2)8-18(16,17)6-5-12(15)14-11(7-13)10-3-4-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyGKTFIAANHLBVJB-UHFFFAOYSA-N
MW312.86 g/mol
LogP0.72
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride (PubChem CID 119614320) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
PubChem CID119614320
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
SMILESCC(C)CS(=O)(=O)CCC(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-9(2)8-18(16,17)6-5-12(15)14-11(7-13)10-3-4-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyGKTFIAANHLBVJB-UHFFFAOYSA-N
XLogP0.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119617078
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
N-(2-amino-1-cyclopropylethyl)-N',N'-dimethylpropanediamide;hydrochloride
CID 119613235
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
N-(2-amino-1-cyclopropylethyl)-3-(2-methoxyethoxy)propanamide
CID 119617079
N-(2-amino-1-cyclopropylethyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 119615543
N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119565990
(2R)-4-methyl-2-[3-(2-methylpropylsulfonyl)propanoylamino]pentanoic acid
CID 119363310
N-(2-amino-1-cyclopropylethyl)-2,3-dimethylbutanamide
CID 65188578
N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119615517
N-(2-amino-1-cyclopropylethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 119613440
3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide
CID 81202087

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride (CID 119614320) is N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride is CC(C)CS(=O)(=O)CCC(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
The InChIKey is GKTFIAANHLBVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c1-9(2)8-18(16,17)6-5-12(15)14-11(7-13)10-3-4-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride is sourced from PubChem (CID 119614320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).