2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide

C15H27NO4S — CID 10267882

IUPAC2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCCCCCCCCCS(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C15H27NO4S/c1-2-3-4-5-6-7-8-11-21(19)12-14(17)16-13-9-10-20-15(13)18/h13H,2-12H2,1H3,(H,16,17)/t13-,21?/m0/s1
InChIKeyGERMEHJZFCGBGR-JRTLGTJJSA-N
MW317.45 g/mol
LogP1.92
Rot. Bonds11

About 2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 10267882) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is 2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID10267882
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Name2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCCCCCCCCCS(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C15H27NO4S/c1-2-3-4-5-6-7-8-11-21(19)12-14(17)16-13-9-10-20-15(13)18/h13H,2-12H2,1H3,(H,16,17)/t13-,21?/m0/s1
InChIKeyGERMEHJZFCGBGR-JRTLGTJJSA-N
XLogP1.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 10267882) is 2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide is CCCCCCCCCS(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is GERMEHJZFCGBGR-JRTLGTJJSA-N. The full InChI is InChI=1S/C15H27NO4S/c1-2-3-4-5-6-7-8-11-21(19)12-14(17)16-13-9-10-20-15(13)18/h13H,2-12H2,1H3,(H,16,17)/t13-,21?/m0/s1.
What are the key properties of 2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 317.45 g/mol, XLogP of 1.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylsulfinyl-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 10267882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).