oxolan-3-ylmethanesulfinamide

C5H11NO2S — CID 165453629

IUPACoxolan-3-ylmethanesulfinamide
SMILESNS(=O)CC1CCOC1
InChIInChI=1S/C5H11NO2S/c6-9(7)4-5-1-2-8-3-5/h5H,1-4,6H2
InChIKeyUVKFNYSBWJAPNL-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.35
Rot. Bonds2

About oxolan-3-ylmethanesulfinamide

oxolan-3-ylmethanesulfinamide (PubChem CID 165453629) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is oxolan-3-ylmethanesulfinamide.

Molecular Properties

Compound Nameoxolan-3-ylmethanesulfinamide
PubChem CID165453629
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Nameoxolan-3-ylmethanesulfinamide
SMILESNS(=O)CC1CCOC1
InChIInChI=1S/C5H11NO2S/c6-9(7)4-5-1-2-8-3-5/h5H,1-4,6H2
InChIKeyUVKFNYSBWJAPNL-UHFFFAOYSA-N
XLogP-0.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethanesulfinamide?
The IUPAC name of oxolan-3-ylmethanesulfinamide (CID 165453629) is oxolan-3-ylmethanesulfinamide.
What is the SMILES notation for oxolan-3-ylmethanesulfinamide?
The canonical SMILES for oxolan-3-ylmethanesulfinamide is NS(=O)CC1CCOC1.
What is the InChIKey of oxolan-3-ylmethanesulfinamide?
The InChIKey is UVKFNYSBWJAPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c6-9(7)4-5-1-2-8-3-5/h5H,1-4,6H2.
What are the key properties of oxolan-3-ylmethanesulfinamide?
oxolan-3-ylmethanesulfinamide has a molecular weight of 149.21 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethanesulfinamide is sourced from PubChem (CID 165453629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).