1-aminosulfanylpiperidin-4-ol

C5H12N2OS — CID 146509288

IUPAC1-aminosulfanylpiperidin-4-ol
SMILESNSN1CCC(O)CC1
InChIInChI=1S/C5H12N2OS/c6-9-7-3-1-5(8)2-4-7/h5,8H,1-4,6H2
InChIKeyQFZZBVJMQQVATJ-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.04
Rot. Bonds1

About 1-aminosulfanylpiperidin-4-ol

1-aminosulfanylpiperidin-4-ol (PubChem CID 146509288) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-aminosulfanylpiperidin-4-ol.

Molecular Properties

Compound Name1-aminosulfanylpiperidin-4-ol
PubChem CID146509288
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name1-aminosulfanylpiperidin-4-ol
SMILESNSN1CCC(O)CC1
InChIInChI=1S/C5H12N2OS/c6-9-7-3-1-5(8)2-4-7/h5,8H,1-4,6H2
InChIKeyQFZZBVJMQQVATJ-UHFFFAOYSA-N
XLogP-0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminosulfanylpiperidin-4-ol?
The IUPAC name of 1-aminosulfanylpiperidin-4-ol (CID 146509288) is 1-aminosulfanylpiperidin-4-ol.
What is the SMILES notation for 1-aminosulfanylpiperidin-4-ol?
The canonical SMILES for 1-aminosulfanylpiperidin-4-ol is NSN1CCC(O)CC1.
What is the InChIKey of 1-aminosulfanylpiperidin-4-ol?
The InChIKey is QFZZBVJMQQVATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c6-9-7-3-1-5(8)2-4-7/h5,8H,1-4,6H2.
What are the key properties of 1-aminosulfanylpiperidin-4-ol?
1-aminosulfanylpiperidin-4-ol has a molecular weight of 148.23 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminosulfanylpiperidin-4-ol is sourced from PubChem (CID 146509288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).