3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one

C9H17NO3S — CID 18768682

IUPAC3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)(S)C1COC(=O)N1CCCO
InChIInChI=1S/C9H17NO3S/c1-9(2,14)7-6-13-8(12)10(7)4-3-5-11/h7,11,14H,3-6H2,1-2H3
InChIKeyDMLFZPQUQBIXRU-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.90
Rot. Bonds4

About 3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one

3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 18768682) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one
PubChem CID18768682
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)(S)C1COC(=O)N1CCCO
InChIInChI=1S/C9H17NO3S/c1-9(2,14)7-6-13-8(12)10(7)4-3-5-11/h7,11,14H,3-6H2,1-2H3
InChIKeyDMLFZPQUQBIXRU-UHFFFAOYSA-N
XLogP0.90
TPSA49.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one 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-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one (CID 18768682) is 3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one is CC(C)(S)C1COC(=O)N1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is DMLFZPQUQBIXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(2,14)7-6-13-8(12)10(7)4-3-5-11/h7,11,14H,3-6H2,1-2H3.
What are the key properties of 3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one?
3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 219.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18768682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).