N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide

C17H31NO5S — CID 53238617

IUPACN-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide
SMILESCCCCCCCCCCCS(=O)(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C17H31NO5S/c1-2-3-4-5-6-7-8-9-10-13-24(21,22)14-16(19)18-15-11-12-23-17(15)20/h15H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyLLXBQAQFMBOEFM-HNNXBMFYSA-N
MW361.50 g/mol
LogP2.36
Rot. Bonds13

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

N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide (PubChem CID 53238617) has the molecular formula C17H31NO5S and a molecular weight of 361.50 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide
PubChem CID53238617
Molecular FormulaC17H31NO5S
Molecular Weight361.50 g/mol
Exact Mass361.19
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide
SMILESCCCCCCCCCCCS(=O)(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C17H31NO5S/c1-2-3-4-5-6-7-8-9-10-13-24(21,22)14-16(19)18-15-11-12-23-17(15)20/h15H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyLLXBQAQFMBOEFM-HNNXBMFYSA-N
XLogP2.36
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide (CID 53238617) is N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide is CCCCCCCCCCCS(=O)(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide?
The InChIKey is LLXBQAQFMBOEFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H31NO5S/c1-2-3-4-5-6-7-8-9-10-13-24(21,22)14-16(19)18-15-11-12-23-17(15)20/h15H,2-14H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide?
N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide has a molecular weight of 361.50 g/mol, XLogP of 2.36, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-2-undecylsulfonylacetamide is sourced from PubChem (CID 53238617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).