(2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride

C15H25ClN2OS — CID 158413388

IUPAC(2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride
SMILESCN[C@H](CCSC)C(=O)NCCCc1ccccc1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-16-14(10-12-19-2)15(18)17-11-6-9-13-7-4-3-5-8-13;/h3-5,7-8,14,16H,6,9-12H2,1-2H3,(H,17,18);1H/t14-;/m1./s1
InChIKeyGZOWLBQPLFBOLU-PFEQFJNWSA-N
MW316.90 g/mol
LogP2.50
Rot. Bonds9

About (2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride

(2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride (PubChem CID 158413388) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is (2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride
PubChem CID158413388
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name(2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride
SMILESCN[C@H](CCSC)C(=O)NCCCc1ccccc1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-16-14(10-12-19-2)15(18)17-11-6-9-13-7-4-3-5-8-13;/h3-5,7-8,14,16H,6,9-12H2,1-2H3,(H,17,18);1H/t14-;/m1./s1
InChIKeyGZOWLBQPLFBOLU-PFEQFJNWSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 52.50
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

(2S)-N-hydroxy-4-methylsulfanyl-2-(3-phenylpropylcarbamoylamino)butanamide
CID 71459519
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrate;hydrochloride
CID 70511677
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2S)-4-methylsulfanyl-2-(4-phenylbutanoylamino)butanoic acid
CID 28939617
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 141016956
4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2973766
3-phenylpropylurea;hydrochloride
CID 174579396
tert-butyl N-[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-1-[[(2R)-4-methylsulfanyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 14208564
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
(2S)-2-(2-methylsulfanylethylcarbamoylamino)-4-phenylbutanoic acid
CID 104983626
(2S)-2-amino-4-methylsulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119322592

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride?
The IUPAC name of (2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride (CID 158413388) is (2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride.
What is the SMILES notation for (2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride?
The canonical SMILES for (2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride is CN[C@H](CCSC)C(=O)NCCCc1ccccc1.Cl.
What is the InChIKey of (2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride?
The InChIKey is GZOWLBQPLFBOLU-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-16-14(10-12-19-2)15(18)17-11-6-9-13-7-4-3-5-8-13;/h3-5,7-8,14,16H,6,9-12H2,1-2H3,(H,17,18);1H/t14-;/m1./s1.
What are the key properties of (2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride?
(2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 158413388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).