2-methyl-N-phenylsulfanylpropanamide

C10H13NOS — CID 134920552

IUPAC2-methyl-N-phenylsulfanylpropanamide
SMILESCC(C)C(=O)NSc1ccccc1
InChIInChI=1S/C10H13NOS/c1-8(2)10(12)11-13-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChIKeyUVSQZECYHLZJFK-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-N-phenylsulfanylpropanamide

2-methyl-N-phenylsulfanylpropanamide (PubChem CID 134920552) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-methyl-N-phenylsulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-N-phenylsulfanylpropanamide
PubChem CID134920552
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-methyl-N-phenylsulfanylpropanamide
SMILESCC(C)C(=O)NSc1ccccc1
InChIInChI=1S/C10H13NOS/c1-8(2)10(12)11-13-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChIKeyUVSQZECYHLZJFK-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)sulfanyl-2-methylpropanamide
CID 156816750
phenylsulfanylurea
CID 22219022
2-amino-4-methyl-N-(4-phenoxyphenyl)sulfanylpentanamide
CID 145138106
2,2,3,3,3-pentafluoro-N-phenylsulfanylpropanamide
CID 10468401
(2S)-3-hydroxy-2-(phenylsulfanylamino)propanoic acid
CID 87691246
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
CID 875313
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylsulfanylpropanamide?
The IUPAC name of 2-methyl-N-phenylsulfanylpropanamide (CID 134920552) is 2-methyl-N-phenylsulfanylpropanamide.
What is the SMILES notation for 2-methyl-N-phenylsulfanylpropanamide?
The canonical SMILES for 2-methyl-N-phenylsulfanylpropanamide is CC(C)C(=O)NSc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylsulfanylpropanamide?
The InChIKey is UVSQZECYHLZJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8(2)10(12)11-13-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12).
What are the key properties of 2-methyl-N-phenylsulfanylpropanamide?
2-methyl-N-phenylsulfanylpropanamide has a molecular weight of 195.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylsulfanylpropanamide is sourced from PubChem (CID 134920552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).