N-sulfanylpiperidine-1-carboxamide

C6H12N2OS — CID 57160802

IUPACN-sulfanylpiperidine-1-carboxamide
SMILESO=C(NS)N1CCCCC1
InChIInChI=1S/C6H12N2OS/c9-6(7-10)8-4-2-1-3-5-8/h10H,1-5H2,(H,7,9)
InChIKeyPSDVJXXAIFFCOY-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.03
Rot. Bonds

About N-sulfanylpiperidine-1-carboxamide

N-sulfanylpiperidine-1-carboxamide (PubChem CID 57160802) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is N-sulfanylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-sulfanylpiperidine-1-carboxamide
PubChem CID57160802
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC NameN-sulfanylpiperidine-1-carboxamide
SMILESO=C(NS)N1CCCCC1
InChIInChI=1S/C6H12N2OS/c9-6(7-10)8-4-2-1-3-5-8/h10H,1-5H2,(H,7,9)
InChIKeyPSDVJXXAIFFCOY-UHFFFAOYSA-N
XLogP1.03
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-sulfanylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-sulfanylpiperidine-1-carboxamide?
The IUPAC name of N-sulfanylpiperidine-1-carboxamide (CID 57160802) is N-sulfanylpiperidine-1-carboxamide.
What is the SMILES notation for N-sulfanylpiperidine-1-carboxamide?
The canonical SMILES for N-sulfanylpiperidine-1-carboxamide is O=C(NS)N1CCCCC1.
What is the InChIKey of N-sulfanylpiperidine-1-carboxamide?
The InChIKey is PSDVJXXAIFFCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c9-6(7-10)8-4-2-1-3-5-8/h10H,1-5H2,(H,7,9).
What are the key properties of N-sulfanylpiperidine-1-carboxamide?
N-sulfanylpiperidine-1-carboxamide has a molecular weight of 160.24 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanylpiperidine-1-carboxamide is sourced from PubChem (CID 57160802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).