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

C8H17NOS — CID 114802737

IUPAC2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCS)C1
InChIInChI=1S/C8H17NOS/c10-5-2-8-1-3-9(7-8)4-6-11/h8,10-11H,1-7H2
InChIKeyACBYAJCBRNTCRU-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.62
Rot. Bonds4

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

2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol (PubChem CID 114802737) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol
PubChem CID114802737
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCS)C1
InChIInChI=1S/C8H17NOS/c10-5-2-8-1-3-9(7-8)4-6-11/h8,10-11H,1-7H2
InChIKeyACBYAJCBRNTCRU-UHFFFAOYSA-N
XLogP0.62
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol (CID 114802737) is 2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(CCS)C1.
What is the InChIKey of 2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is ACBYAJCBRNTCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c10-5-2-8-1-3-9(7-8)4-6-11/h8,10-11H,1-7H2.
What are the key properties of 2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 175.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-sulfanylethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).