2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride

C16H25ClN2OS — CID 119782926

IUPAC2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC1(Sc2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-3-9-15(2,17)14(19)18-12-16(10-11-16)20-13-7-5-4-6-8-13;/h4-8H,3,9-12,17H2,1-2H3,(H,18,19);1H
InChIKeyQHUMIMJZFNUJML-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.37
Rot. Bonds7

About 2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride (PubChem CID 119782926) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride
PubChem CID119782926
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC1(Sc2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-3-9-15(2,17)14(19)18-12-16(10-11-16)20-13-7-5-4-6-8-13;/h4-8H,3,9-12,17H2,1-2H3,(H,18,19);1H
InChIKeyQHUMIMJZFNUJML-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119699195
2,2-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]propanamide
CID 90604589
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide
CID 119800186
N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119323172
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride
CID 119628222
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
1-[[(2-amino-2-methylpentanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311179
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride (CID 119782926) is 2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NCC1(Sc2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride?
The InChIKey is QHUMIMJZFNUJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-3-9-15(2,17)14(19)18-12-16(10-11-16)20-13-7-5-4-6-8-13;/h4-8H,3,9-12,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119782926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).