4-sulfanylpiperidin-4-ol

C5H11NOS — CID 137450894

IUPAC4-sulfanylpiperidin-4-ol
SMILESOC1(S)CCNCC1
InChIInChI=1S/C5H11NOS/c7-5(8)1-3-6-4-2-5/h6-8H,1-4H2
InChIKeyDLBWJNXABCYERF-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.01
Rot. Bonds

About 4-sulfanylpiperidin-4-ol

4-sulfanylpiperidin-4-ol (PubChem CID 137450894) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 4-sulfanylpiperidin-4-ol.

Molecular Properties

Compound Name4-sulfanylpiperidin-4-ol
PubChem CID137450894
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name4-sulfanylpiperidin-4-ol
SMILESOC1(S)CCNCC1
InChIInChI=1S/C5H11NOS/c7-5(8)1-3-6-4-2-5/h6-8H,1-4H2
InChIKeyDLBWJNXABCYERF-UHFFFAOYSA-N
XLogP-0.01
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-sulfanylpiperidin-4-ol?
The IUPAC name of 4-sulfanylpiperidin-4-ol (CID 137450894) is 4-sulfanylpiperidin-4-ol.
What is the SMILES notation for 4-sulfanylpiperidin-4-ol?
The canonical SMILES for 4-sulfanylpiperidin-4-ol is OC1(S)CCNCC1.
What is the InChIKey of 4-sulfanylpiperidin-4-ol?
The InChIKey is DLBWJNXABCYERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c7-5(8)1-3-6-4-2-5/h6-8H,1-4H2.
What are the key properties of 4-sulfanylpiperidin-4-ol?
4-sulfanylpiperidin-4-ol has a molecular weight of 133.22 g/mol, XLogP of -0.01, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylpiperidin-4-ol is sourced from PubChem (CID 137450894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).