2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride

C13H21ClN2OS — CID 119272252

IUPAC2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCSc1ccccc1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-2-6-12(14)13(16)15-9-10-17-11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10,14H2,1H3,(H,15,16);1H
InChIKeyOSZKZNLZVXHCOY-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.44
Rot. Bonds7

About 2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride

2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride (PubChem CID 119272252) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
PubChem CID119272252
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCSc1ccccc1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-2-6-12(14)13(16)15-9-10-17-11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10,14H2,1H3,(H,15,16);1H
InChIKeyOSZKZNLZVXHCOY-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-phenylsulfanylethyl)hexanamide
CID 54881069
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide
CID 54881057
2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
CID 103603525
2-amino-N-benzylpentanamide
CID 11020044
2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride
CID 119304338
2-amino-N-(5-phenylpentyl)pentanamide;hydrochloride
CID 119317079
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-[[(2R)-2,6-diaminohexanoyl]amino]ethyl 4-phenylsulfanylbutanoate
CID 169041284
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905
2-amino-N-(2-phenylsulfanylphenyl)pentanamide
CID 61253814
2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide
CID 119279112

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride (CID 119272252) is 2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride is CCCC(N)C(=O)NCCSc1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride?
The InChIKey is OSZKZNLZVXHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-2-6-12(14)13(16)15-9-10-17-11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10,14H2,1H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride?
2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride is sourced from PubChem (CID 119272252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).