(1-methylsulfanylpyrrolidin-3-yl)methanol

C6H13NOS — CID 155123140

IUPAC(1-methylsulfanylpyrrolidin-3-yl)methanol
SMILESCSN1CCC(CO)C1
InChIInChI=1S/C6H13NOS/c1-9-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3
InChIKeyAZLQNRQSWBVAMW-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.58
Rot. Bonds2

About (1-methylsulfanylpyrrolidin-3-yl)methanol

(1-methylsulfanylpyrrolidin-3-yl)methanol (PubChem CID 155123140) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (1-methylsulfanylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-methylsulfanylpyrrolidin-3-yl)methanol
PubChem CID155123140
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(1-methylsulfanylpyrrolidin-3-yl)methanol
SMILESCSN1CCC(CO)C1
InChIInChI=1S/C6H13NOS/c1-9-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3
InChIKeyAZLQNRQSWBVAMW-UHFFFAOYSA-N
XLogP0.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-methylsulfanylpyrrolidin-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 (1-methylsulfanylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-methylsulfanylpyrrolidin-3-yl)methanol (CID 155123140) is (1-methylsulfanylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-methylsulfanylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-methylsulfanylpyrrolidin-3-yl)methanol is CSN1CCC(CO)C1.
What is the InChIKey of (1-methylsulfanylpyrrolidin-3-yl)methanol?
The InChIKey is AZLQNRQSWBVAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3.
What are the key properties of (1-methylsulfanylpyrrolidin-3-yl)methanol?
(1-methylsulfanylpyrrolidin-3-yl)methanol has a molecular weight of 147.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfanylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 155123140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).