(2R)-2-methylsulfanyl-2-phenylacetamide

C9H11NOS — CID 101026307

IUPAC(2R)-2-methylsulfanyl-2-phenylacetamide
SMILESCS[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C9H11NOS/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,10,11)/t8-/m1/s1
InChIKeyRQOLRTWYFKYGIJ-MRVPVSSYSA-N
MW181.26 g/mol
LogP1.58
Rot. Bonds3

About (2R)-2-methylsulfanyl-2-phenylacetamide

(2R)-2-methylsulfanyl-2-phenylacetamide (PubChem CID 101026307) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (2R)-2-methylsulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-methylsulfanyl-2-phenylacetamide
PubChem CID101026307
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(2R)-2-methylsulfanyl-2-phenylacetamide
SMILESCS[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C9H11NOS/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,10,11)/t8-/m1/s1
InChIKeyRQOLRTWYFKYGIJ-MRVPVSSYSA-N
XLogP1.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl [(2-amino-2-oxo-1-phenylethyl)disulfanyl]formate
CID 22215743
(4-methylphenyl) 2-methylsulfanyl-2-phenylacetate
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2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide
CID 18138315
(2-amino-2-oxo-1-phenylethyl) N,N-diethylcarbamodithioate
CID 46689906
3-[(2-methylsulfanyl-2-phenylacetyl)amino]propanoic acid
CID 119350905
N-ethyl-2-methylsulfanyl-N,2-diphenylacetamide
CID 101243744
2-phenyl-2-sulfanylacetamide
CID 19419425
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 86790555
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-2-methylsulfanyl-2-phenylacetamide (CID 101026307) is (2R)-2-methylsulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-methylsulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-methylsulfanyl-2-phenylacetamide is CS[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2R)-2-methylsulfanyl-2-phenylacetamide?
The InChIKey is RQOLRTWYFKYGIJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,10,11)/t8-/m1/s1.
What are the key properties of (2R)-2-methylsulfanyl-2-phenylacetamide?
(2R)-2-methylsulfanyl-2-phenylacetamide has a molecular weight of 181.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanyl-2-phenylacetamide is sourced from PubChem (CID 101026307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).