(1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol

C12H25NOS — CID 155010690

IUPAC(1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCS1(C[C@@H](O)[C@@H]2CCCN2)CCCCC1
InChIInChI=1S/C12H25NOS/c1-15(8-3-2-4-9-15)10-12(14)11-6-5-7-13-11/h11-14H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeySGXUGPSFYJPICX-NWDGAFQWSA-N
MW231.40 g/mol
LogP1.72
Rot. Bonds3

About (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol

(1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 155010690) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID155010690
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name(1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESCS1(C[C@@H](O)[C@@H]2CCCN2)CCCCC1
InChIInChI=1S/C12H25NOS/c1-15(8-3-2-4-9-15)10-12(14)11-6-5-7-13-11/h11-14H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeySGXUGPSFYJPICX-NWDGAFQWSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol 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 (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 155010690) is (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol is CS1(C[C@@H](O)[C@@H]2CCCN2)CCCCC1.
What is the InChIKey of (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is SGXUGPSFYJPICX-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H25NOS/c1-15(8-3-2-4-9-15)10-12(14)11-6-5-7-13-11/h11-14H,2-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol?
(1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol has a molecular weight of 231.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1-methylthian-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 155010690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).