2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol

C10H21NOS — CID 114802739

IUPAC2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCCCS)C1
InChIInChI=1S/C10H21NOS/c12-7-4-10-3-6-11(9-10)5-1-2-8-13/h10,12-13H,1-9H2
InChIKeyYERCJWQLRBGJCE-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.40
Rot. Bonds6

About 2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol

2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol (PubChem CID 114802739) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol
PubChem CID114802739
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCCCS)C1
InChIInChI=1S/C10H21NOS/c12-7-4-10-3-6-11(9-10)5-1-2-8-13/h10,12-13H,1-9H2
InChIKeyYERCJWQLRBGJCE-UHFFFAOYSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol (CID 114802739) is 2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(CCCCS)C1.
What is the InChIKey of 2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol?
The InChIKey is YERCJWQLRBGJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c12-7-4-10-3-6-11(9-10)5-1-2-8-13/h10,12-13H,1-9H2.
What are the key properties of 2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol?
2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol has a molecular weight of 203.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-sulfanylbutyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).