N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride

C15H31ClN2O3S — CID 119599815

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCS(=O)(=O)C1CCCC1.Cl
InChIInChI=1S/C15H30N2O3S.ClH/c1-12(2)10-15(3,11-16)17-14(18)8-9-21(19,20)13-6-4-5-7-13;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H
InChIKeyJOWZBMJFRYITDR-UHFFFAOYSA-N
MW354.94 g/mol
LogP2.04
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride (PubChem CID 119599815) has the molecular formula C15H31ClN2O3S and a molecular weight of 354.94 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride
PubChem CID119599815
Molecular FormulaC15H31ClN2O3S
Molecular Weight354.94 g/mol
Exact Mass354.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCS(=O)(=O)C1CCCC1.Cl
InChIInChI=1S/C15H30N2O3S.ClH/c1-12(2)10-15(3,11-16)17-14(18)8-9-21(19,20)13-6-4-5-7-13;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H
InChIKeyJOWZBMJFRYITDR-UHFFFAOYSA-N
XLogP2.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.94
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 119597434
N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183
N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
CID 119599741
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride
CID 119606077
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
CID 119597794
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119600368
N-(1-amino-2,4-dimethylpentan-2-yl)-2,2-dicyclopropylacetamide
CID 112745073
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119600356
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(1-amino-2,4-dimethylpentan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81486220
N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080673
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide
CID 83138084

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride (CID 119599815) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)CCS(=O)(=O)C1CCCC1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride?
The InChIKey is JOWZBMJFRYITDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S.ClH/c1-12(2)10-15(3,11-16)17-14(18)8-9-21(19,20)13-6-4-5-7-13;/h12-13H,4-11,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride has a molecular weight of 354.94 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride is sourced from PubChem (CID 119599815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).