N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride

C13H27ClN2O3S — CID 119606077

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CS(=O)(=O)C1CCCC1.Cl
InChIInChI=1S/C13H26N2O3S.ClH/c1-10(2)13(3,9-14)15-12(16)8-19(17,18)11-6-4-5-7-11;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H
InChIKeyHVSPSTLWMAFZFE-UHFFFAOYSA-N
MW326.89 g/mol
LogP1.26
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride (PubChem CID 119606077) has the molecular formula C13H27ClN2O3S and a molecular weight of 326.89 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride
PubChem CID119606077
Molecular FormulaC13H27ClN2O3S
Molecular Weight326.89 g/mol
Exact Mass326.14
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CS(=O)(=O)C1CCCC1.Cl
InChIInChI=1S/C13H26N2O3S.ClH/c1-10(2)13(3,9-14)15-12(16)8-19(17,18)11-6-4-5-7-11;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H
InChIKeyHVSPSTLWMAFZFE-UHFFFAOYSA-N
XLogP1.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride
CID 119606072
N-(1-amino-2,3-dimethylbutan-2-yl)-3-cyclohexylbutanamide;hydrochloride
CID 119608509
N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride
CID 119599815
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080717
3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
CID 119237505
N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride
CID 119601349
(2R)-2-[(2-cyclopentylsulfonylacetyl)amino]-3-methylbutanoic acid
CID 119369506
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide
CID 115310441
N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 119608309
tert-butyl 2-cyclopentylsulfonylacetate
CID 73425315
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119608044
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622515

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride (CID 119606077) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride is CC(C)C(C)(CN)NC(=O)CS(=O)(=O)C1CCCC1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride?
The InChIKey is HVSPSTLWMAFZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S.ClH/c1-10(2)13(3,9-14)15-12(16)8-19(17,18)11-6-4-5-7-11;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride is sourced from PubChem (CID 119606077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).