2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride

C15H23ClN2O2S — CID 119336127

IUPAC2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride
SMILESCSC1(CNC(=O)C(N)c2ccccc2)CCOCC1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-20-15(7-9-19-10-8-15)11-17-14(18)13(16)12-5-3-2-4-6-12;/h2-6,13H,7-11,16H2,1H3,(H,17,18);1H
InChIKeyUVXZFVCGBVCDNV-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.14
Rot. Bonds5

About 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride

2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride (PubChem CID 119336127) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride
PubChem CID119336127
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride
SMILESCSC1(CNC(=O)C(N)c2ccccc2)CCOCC1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-20-15(7-9-19-10-8-15)11-17-14(18)13(16)12-5-3-2-4-6-12;/h2-6,13H,7-11,16H2,1H3,(H,17,18);1H
InChIKeyUVXZFVCGBVCDNV-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-3-phenylpropanamide
CID 119805546
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
CID 119336130
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride
CID 119336131
2-amino-2-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide;hydrochloride
CID 119333913
2-ethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]butanamide
CID 90604592
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119290193
(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65120039
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433544

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride (CID 119336127) is 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride is CSC1(CNC(=O)C(N)c2ccccc2)CCOCC1.Cl.
What is the InChIKey of 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride?
The InChIKey is UVXZFVCGBVCDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-20-15(7-9-19-10-8-15)11-17-14(18)13(16)12-5-3-2-4-6-12;/h2-6,13H,7-11,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride?
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119336127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).