[3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol

C10H19NO2S — CID 61049964

IUPAC[3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol
SMILESOCC1(NCC2CCCO2)CCSC1
InChIInChI=1S/C10H19NO2S/c12-7-10(3-5-14-8-10)11-6-9-2-1-4-13-9/h9,11-12H,1-8H2
InChIKeyQIUYQQOYGXGBFY-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.62
Rot. Bonds4

About [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol

[3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol (PubChem CID 61049964) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol
PubChem CID61049964
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name[3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol
SMILESOCC1(NCC2CCCO2)CCSC1
InChIInChI=1S/C10H19NO2S/c12-7-10(3-5-14-8-10)11-6-9-2-1-4-13-9/h9,11-12H,1-8H2
InChIKeyQIUYQQOYGXGBFY-UHFFFAOYSA-N
XLogP0.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol?
The IUPAC name of [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol (CID 61049964) is [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol?
The canonical SMILES for [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol is OCC1(NCC2CCCO2)CCSC1.
What is the InChIKey of [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol?
The InChIKey is QIUYQQOYGXGBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-7-10(3-5-14-8-10)11-6-9-2-1-4-13-9/h9,11-12H,1-8H2.
What are the key properties of [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol?
[3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol has a molecular weight of 217.33 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-2-ylmethylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 61049964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).