4-methyl-3-pyrrolidin-2-ylthiolan-3-ol

C9H17NOS — CID 130520182

IUPAC4-methyl-3-pyrrolidin-2-ylthiolan-3-ol
SMILESCC1CSCC1(O)C1CCCN1
InChIInChI=1S/C9H17NOS/c1-7-5-12-6-9(7,11)8-3-2-4-10-8/h7-8,10-11H,2-6H2,1H3
InChIKeyCJOZTRKQZDZKSX-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.85
Rot. Bonds1

About 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol

4-methyl-3-pyrrolidin-2-ylthiolan-3-ol (PubChem CID 130520182) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol.

Molecular Properties

Compound Name4-methyl-3-pyrrolidin-2-ylthiolan-3-ol
PubChem CID130520182
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name4-methyl-3-pyrrolidin-2-ylthiolan-3-ol
SMILESCC1CSCC1(O)C1CCCN1
InChIInChI=1S/C9H17NOS/c1-7-5-12-6-9(7,11)8-3-2-4-10-8/h7-8,10-11H,2-6H2,1H3
InChIKeyCJOZTRKQZDZKSX-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314996
4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol
CID 65086095
3,3,4-trimethylthiolane
CID 66729923
3-[(2R)-pyrrolidin-2-yl]oxetan-3-ol
CID 125461843
2-(1-methoxy-2,3-dimethylcyclopropyl)pyrrolidine
CID 67590376
2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
CID 83669929
3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol
CID 80561124
(3-methylpiperidin-2-yl)methanol
CID 19898861
2-methylpyrrolidine
CID 142041388
2-methylpyrrolidine
CID 13003
(3-methylpiperidin-2-yl)methanol;hydrochloride
CID 71756911
1-(3-methylpiperidin-2-yl)ethanone
CID 54775356

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol?
The IUPAC name of 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol (CID 130520182) is 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol.
What is the SMILES notation for 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol?
The canonical SMILES for 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol is CC1CSCC1(O)C1CCCN1.
What is the InChIKey of 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol?
The InChIKey is CJOZTRKQZDZKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-7-5-12-6-9(7,11)8-3-2-4-10-8/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol?
4-methyl-3-pyrrolidin-2-ylthiolan-3-ol has a molecular weight of 187.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrolidin-2-ylthiolan-3-ol is sourced from PubChem (CID 130520182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).