3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol

C12H24O3S — CID 122591897

IUPAC3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol
SMILESCCC(SCC(O)CO)C1CCC(CO)C1
InChIInChI=1S/C12H24O3S/c1-2-12(16-8-11(15)7-14)10-4-3-9(5-10)6-13/h9-15H,2-8H2,1H3
InChIKeyFOSVVLGJYXWMAJ-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.26
Rot. Bonds7

About 3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol

3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol (PubChem CID 122591897) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol
PubChem CID122591897
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol
SMILESCCC(SCC(O)CO)C1CCC(CO)C1
InChIInChI=1S/C12H24O3S/c1-2-12(16-8-11(15)7-14)10-4-3-9(5-10)6-13/h9-15H,2-8H2,1H3
InChIKeyFOSVVLGJYXWMAJ-UHFFFAOYSA-N
XLogP1.26
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol 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-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol (CID 122591897) is 3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol is CCC(SCC(O)CO)C1CCC(CO)C1.
What is the InChIKey of 3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol?
The InChIKey is FOSVVLGJYXWMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-2-12(16-8-11(15)7-14)10-4-3-9(5-10)6-13/h9-15H,2-8H2,1H3.
What are the key properties of 3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol?
3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol has a molecular weight of 248.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(hydroxymethyl)cyclopentyl]propylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 122591897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).