2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol

C12H25NOS — CID 114802751

IUPAC2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol
SMILESCC(CCS)CCN1CCC(CCO)C1
InChIInChI=1S/C12H25NOS/c1-11(5-9-15)2-6-13-7-3-12(10-13)4-8-14/h11-12,14-15H,2-10H2,1H3
InChIKeyHGNKUCXWAQNEMZ-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.04
Rot. Bonds7

About 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol

2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol (PubChem CID 114802751) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol
PubChem CID114802751
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol
SMILESCC(CCS)CCN1CCC(CCO)C1
InChIInChI=1S/C12H25NOS/c1-11(5-9-15)2-6-13-7-3-12(10-13)4-8-14/h11-12,14-15H,2-10H2,1H3
InChIKeyHGNKUCXWAQNEMZ-UHFFFAOYSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-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

Related Compounds

2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
2-[1-[3-methyl-2-(sulfanylmethyl)butyl]pyrrolidin-3-yl]ethanol
CID 114802743
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentane-1-thiol
CID 115562967
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid
CID 114798284
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol
CID 114800100
2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol
CID 103071403

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol (CID 114802751) is 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol is CC(CCS)CCN1CCC(CCO)C1.
What is the InChIKey of 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol?
The InChIKey is HGNKUCXWAQNEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-11(5-9-15)2-6-13-7-3-12(10-13)4-8-14/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol?
2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol has a molecular weight of 231.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).