2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol

C9H19NOS — CID 62478909

IUPAC2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol
SMILESOCCSCCCC1CCCN1
InChIInChI=1S/C9H19NOS/c11-6-8-12-7-2-4-9-3-1-5-10-9/h9-11H,1-8H2
InChIKeySOGMDDKDDKNUJY-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds6

About 2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol

2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol (PubChem CID 62478909) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol
PubChem CID62478909
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol
SMILESOCCSCCCC1CCCN1
InChIInChI=1S/C9H19NOS/c11-6-8-12-7-2-4-9-3-1-5-10-9/h9-11H,1-8H2
InChIKeySOGMDDKDDKNUJY-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol?
The IUPAC name of 2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol (CID 62478909) is 2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol.
What is the SMILES notation for 2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol?
The canonical SMILES for 2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol is OCCSCCCC1CCCN1.
What is the InChIKey of 2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol?
The InChIKey is SOGMDDKDDKNUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c11-6-8-12-7-2-4-9-3-1-5-10-9/h9-11H,1-8H2.
What are the key properties of 2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol?
2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-2-ylpropylsulfanyl)ethanol is sourced from PubChem (CID 62478909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).