2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol

C10H21NOS — CID 167496299

IUPAC2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(CCCS)CC1
InChIInChI=1S/C10H21NOS/c12-8-4-10-2-6-11(7-3-10)5-1-9-13/h10,12-13H,1-9H2
InChIKeyWGQMVOANLZQJQE-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.40
Rot. Bonds5

About 2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol

2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol (PubChem CID 167496299) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol
PubChem CID167496299
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(CCCS)CC1
InChIInChI=1S/C10H21NOS/c12-8-4-10-2-6-11(7-3-10)5-1-9-13/h10,12-13H,1-9H2
InChIKeyWGQMVOANLZQJQE-UHFFFAOYSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol (CID 167496299) is 2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol is OCCC1CCN(CCCS)CC1.
What is the InChIKey of 2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol?
The InChIKey is WGQMVOANLZQJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c12-8-4-10-2-6-11(7-3-10)5-1-9-13/h10,12-13H,1-9H2.
What are the key properties of 2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol?
2-[1-(3-sulfanylpropyl)piperidin-4-yl]ethanol has a molecular weight of 203.35 g/mol, XLogP of 1.40, 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)piperidin-4-yl]ethanol is sourced from PubChem (CID 167496299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).