2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol

C9H19NOS — CID 167496320

IUPAC2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(CCS)CC1
InChIInChI=1S/C9H19NOS/c11-7-3-9-1-4-10(5-2-9)6-8-12/h9,11-12H,1-8H2
InChIKeyCUOBEPQKYIZYFR-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.01
Rot. Bonds4

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

2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol (PubChem CID 167496320) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol
PubChem CID167496320
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(CCS)CC1
InChIInChI=1S/C9H19NOS/c11-7-3-9-1-4-10(5-2-9)6-8-12/h9,11-12H,1-8H2
InChIKeyCUOBEPQKYIZYFR-UHFFFAOYSA-N
XLogP1.01
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol (CID 167496320) is 2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol is OCCC1CCN(CCS)CC1.
What is the InChIKey of 2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol?
The InChIKey is CUOBEPQKYIZYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c11-7-3-9-1-4-10(5-2-9)6-8-12/h9,11-12H,1-8H2.
What are the key properties of 2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol?
2-[1-(2-sulfanylethyl)piperidin-4-yl]ethanol has a molecular weight of 189.32 g/mol, XLogP of 1.01, 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)piperidin-4-yl]ethanol is sourced from PubChem (CID 167496320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).