(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride

C12H19ClN2OS — CID 119335478

IUPAC(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride
SMILESCC(CNC(=O)[C@@H](C)N)Sc1ccccc1.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9(8-14-12(15)10(2)13)16-11-6-4-3-5-7-11;/h3-7,9-10H,8,13H2,1-2H3,(H,14,15);1H/t9?,10-;/m1./s1
InChIKeyQELAYSGRPQLNOC-FJYJDOHQSA-N
MW274.82 g/mol
LogP2.05
Rot. Bonds5

About (2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride

(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride (PubChem CID 119335478) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride
PubChem CID119335478
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride
SMILESCC(CNC(=O)[C@@H](C)N)Sc1ccccc1.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9(8-14-12(15)10(2)13)16-11-6-4-3-5-7-11;/h3-7,9-10H,8,13H2,1-2H3,(H,14,15);1H/t9?,10-;/m1./s1
InChIKeyQELAYSGRPQLNOC-FJYJDOHQSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide
CID 119322850
2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide
CID 71994113
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
4-amino-N-(2-phenylsulfanylpropyl)butanamide
CID 119335487
2,2-dimethyl-N'-[(2S)-2-phenylsulfanylpropyl]propanediamide
CID 100665662
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111465730
1-(4-hydroxy-2-methylpentyl)-3-(2-phenylsulfanylpropyl)urea
CID 111508843
1-(3-hydroxypropyl)-3-(2-phenylsulfanylpropyl)urea
CID 111508832
4-(2-phenylsulfanylpropylcarbamoylamino)butanoic acid
CID 122004197
2-(2-phenylsulfanylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 119186686
N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119335474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride (CID 119335478) is (2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride is CC(CNC(=O)[C@@H](C)N)Sc1ccccc1.Cl.
What is the InChIKey of (2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride?
The InChIKey is QELAYSGRPQLNOC-FJYJDOHQSA-N. The full InChI is InChI=1S/C12H18N2OS.ClH/c1-9(8-14-12(15)10(2)13)16-11-6-4-3-5-7-11;/h3-7,9-10H,8,13H2,1-2H3,(H,14,15);1H/t9?,10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride?
(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride has a molecular weight of 274.82 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119335478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).