2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide

C13H15NO3S — CID 11161410

IUPAC2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCc1ccc(SCC(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C13H15NO3S/c1-9-2-4-10(5-3-9)18-8-12(15)14-11-6-7-17-13(11)16/h2-5,11H,6-8H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyLXSWHHDDJZUZPN-NSHDSACASA-N
MW265.33 g/mol
LogP1.52
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 11161410) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID11161410
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCc1ccc(SCC(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C13H15NO3S/c1-9-2-4-10(5-3-9)18-8-12(15)14-11-6-7-17-13(11)16/h2-5,11H,6-8H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyLXSWHHDDJZUZPN-NSHDSACASA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 11161410) is 2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide is Cc1ccc(SCC(=O)N[C@H]2CCOC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is LXSWHHDDJZUZPN-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9-2-4-10(5-3-9)18-8-12(15)14-11-6-7-17-13(11)16/h2-5,11H,6-8H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 265.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 11161410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).