2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol

C9H19NOS — CID 114802740

IUPAC2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCCS)C1
InChIInChI=1S/C9H19NOS/c11-6-3-9-2-5-10(8-9)4-1-7-12/h9,11-12H,1-8H2
InChIKeyMHNKEUXFCBGJKZ-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.01
Rot. Bonds5

About 2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol

2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol (PubChem CID 114802740) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol
PubChem CID114802740
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCCS)C1
InChIInChI=1S/C9H19NOS/c11-6-3-9-2-5-10(8-9)4-1-7-12/h9,11-12H,1-8H2
InChIKeyMHNKEUXFCBGJKZ-UHFFFAOYSA-N
XLogP1.01
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(3-sulfanylpropyl)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-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]ethanol
CID 116628314
2-(1-Ethylpyrrolidin-3-yl)ethanol
CID 21702793
2-(1-Pentylpyrrolidin-3-yl)ethanol
CID 53826703
2-(1-Propylpyrrolidin-3-yl)ethanol
CID 83981055
2-[1-(2-Methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
(2R)-5-(diethylamino)-2-(2-sulfanylethyl)pentan-1-ol
CID 90427479
5-(Diethylamino)-2-(2-sulfanylethyl)pentan-1-ol
CID 90427482
(S)-2-(2-Mercaptoethyl)-5-(diethylamino)pentanol
CID 90428318
2-[1-(3-Sulfanylpropyl)piperidin-4-yl]ethanol
CID 167496299
2-[1-(2-Sulfanylethyl)piperidin-4-yl]ethanol
CID 167496320
[5-Methyl-1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol
CID 170958225
Ethane;2-(1-methylpyrrolidin-3-yl)ethanol
CID 177952209

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol (CID 114802740) is 2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(CCCS)C1.
What is the InChIKey of 2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol?
The InChIKey is MHNKEUXFCBGJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c11-6-3-9-2-5-10(8-9)4-1-7-12/h9,11-12H,1-8H2.
What are the key properties of 2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol?
2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol has a molecular weight of 189.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-sulfanylpropyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).