2-amino-3-phenacylsulfanylpropanamide;hydrochloride

C11H15ClN2O2S — CID 68821201

IUPAC2-amino-3-phenacylsulfanylpropanamide;hydrochloride
SMILESCl.NC(=O)C(N)CSCC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2S.ClH/c12-9(11(13)15)6-16-7-10(14)8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2,(H2,13,15);1H
InChIKeyKREIQPRHHRVPJD-UHFFFAOYSA-N
MW274.77 g/mol
LogP0.84
Rot. Bonds6

About 2-amino-3-phenacylsulfanylpropanamide;hydrochloride

2-amino-3-phenacylsulfanylpropanamide;hydrochloride (PubChem CID 68821201) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-amino-3-phenacylsulfanylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-phenacylsulfanylpropanamide;hydrochloride
PubChem CID68821201
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-amino-3-phenacylsulfanylpropanamide;hydrochloride
SMILESCl.NC(=O)C(N)CSCC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2S.ClH/c12-9(11(13)15)6-16-7-10(14)8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2,(H2,13,15);1H
InChIKeyKREIQPRHHRVPJD-UHFFFAOYSA-N
XLogP0.84
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278001
(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278000
2-ethylsulfanyl-1-phenylethanone
CID 2776060
N-(3-aminobutyl)-2-phenacylsulfanylacetamide;hydrochloride
CID 119495825
(2-phenacylsulfanylacetyl) 2-phenacylsulfanylacetate
CID 71371728
N-(1-aminopropan-2-yl)-N-methyl-2-phenacylsulfanylacetamide;hydrochloride
CID 119582126
(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid
CID 170847509
2-[2-(difluoromethoxy)ethylsulfanyl]-1-phenylethanone
CID 140992676
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone
CID 59233390
2-(diphenylphosphorylmethylsulfanyl)-1-phenylethanone
CID 12896589
(2S)-2-[(2-phenacylsulfanylacetyl)amino]propanoic acid
CID 119238424

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenacylsulfanylpropanamide;hydrochloride?
The IUPAC name of 2-amino-3-phenacylsulfanylpropanamide;hydrochloride (CID 68821201) is 2-amino-3-phenacylsulfanylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-phenacylsulfanylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-3-phenacylsulfanylpropanamide;hydrochloride is Cl.NC(=O)C(N)CSCC(=O)c1ccccc1.
What is the InChIKey of 2-amino-3-phenacylsulfanylpropanamide;hydrochloride?
The InChIKey is KREIQPRHHRVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S.ClH/c12-9(11(13)15)6-16-7-10(14)8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2,(H2,13,15);1H.
What are the key properties of 2-amino-3-phenacylsulfanylpropanamide;hydrochloride?
2-amino-3-phenacylsulfanylpropanamide;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenacylsulfanylpropanamide;hydrochloride is sourced from PubChem (CID 68821201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).