(2S)-2-phenyl-N-sulfanylpropanamide

C9H11NOS — CID 146642681

IUPAC(2S)-2-phenyl-N-sulfanylpropanamide
SMILESC[C@H](C(=O)NS)c1ccccc1
InChIInChI=1S/C9H11NOS/c1-7(9(11)10-12)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,10,11)/t7-/m0/s1
InChIKeyRJXSXXRUDPZLNV-ZETCQYMHSA-N
MW181.26 g/mol
LogP1.75
Rot. Bonds2

About (2S)-2-phenyl-N-sulfanylpropanamide

(2S)-2-phenyl-N-sulfanylpropanamide (PubChem CID 146642681) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (2S)-2-phenyl-N-sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-sulfanylpropanamide
PubChem CID146642681
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(2S)-2-phenyl-N-sulfanylpropanamide
SMILESC[C@H](C(=O)NS)c1ccccc1
InChIInChI=1S/C9H11NOS/c1-7(9(11)10-12)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,10,11)/t7-/m0/s1
InChIKeyRJXSXXRUDPZLNV-ZETCQYMHSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-2-phenylpropanamide
CID 134890422
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(2R)-N-methoxy-2-phenylpropanamide
CID 131067254
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-hydroxy-3-(2-phenylpropanoylamino)propanamide
CID 107260947
2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid
CID 120686881
N-butyl-2-phenylpropanamide
CID 101453557
N-(6-methyl-2-pyridinyl)-2-phenylpropanamide
CID 70678328
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-sulfanylpropanamide?
The IUPAC name of (2S)-2-phenyl-N-sulfanylpropanamide (CID 146642681) is (2S)-2-phenyl-N-sulfanylpropanamide.
What is the SMILES notation for (2S)-2-phenyl-N-sulfanylpropanamide?
The canonical SMILES for (2S)-2-phenyl-N-sulfanylpropanamide is C[C@H](C(=O)NS)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-sulfanylpropanamide?
The InChIKey is RJXSXXRUDPZLNV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NOS/c1-7(9(11)10-12)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-sulfanylpropanamide?
(2S)-2-phenyl-N-sulfanylpropanamide has a molecular weight of 181.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-sulfanylpropanamide is sourced from PubChem (CID 146642681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).