(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride

C11H17ClN2OS — CID 119272241

IUPAC(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCCSc1ccccc1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-9(12)11(14)13-7-8-15-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyXEMYDNYSKTYMKW-FVGYRXGTSA-N
MW260.79 g/mol
LogP1.66
Rot. Bonds5

About (2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride

(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride (PubChem CID 119272241) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
PubChem CID119272241
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCCSc1ccccc1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-9(12)11(14)13-7-8-15-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyXEMYDNYSKTYMKW-FVGYRXGTSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.66
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-4-methyl-N-(2-phenylsulfanylethyl)pentanamide
CID 54881057
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
CID 119272252
2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
CID 103603525
2-amino-N-(2-phenylsulfanylethyl)hexanamide
CID 54881069
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride
CID 119335478
2-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide;hydrochloride
CID 119268290
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
N-(2-phenylsulfanylethyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43916416
(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
CID 18631474
2-methyl-3-(2-phenylsulfanylethylamino)butanoic acid
CID 79390894

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride (CID 119272241) is (2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride is C[C@H](N)C(=O)NCCSc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride?
The InChIKey is XEMYDNYSKTYMKW-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-9(12)11(14)13-7-8-15-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3,(H,13,14);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride?
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119272241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).