4-sulfanylpiperidine-1-carboxamide

C6H12N2OS — CID 165469353

IUPAC4-sulfanylpiperidine-1-carboxamide
SMILESNC(=O)N1CCC(S)CC1
InChIInChI=1S/C6H12N2OS/c7-6(9)8-3-1-5(10)2-4-8/h5,10H,1-4H2,(H2,7,9)
InChIKeyTWNLQRCWVDHECG-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.46
Rot. Bonds

About 4-sulfanylpiperidine-1-carboxamide

4-sulfanylpiperidine-1-carboxamide (PubChem CID 165469353) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 4-sulfanylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-sulfanylpiperidine-1-carboxamide
PubChem CID165469353
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name4-sulfanylpiperidine-1-carboxamide
SMILESNC(=O)N1CCC(S)CC1
InChIInChI=1S/C6H12N2OS/c7-6(9)8-3-1-5(10)2-4-8/h5,10H,1-4H2,(H2,7,9)
InChIKeyTWNLQRCWVDHECG-UHFFFAOYSA-N
XLogP0.46
TPSA46.33 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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-sulfanylpiperidine-1-carboxamide?
The IUPAC name of 4-sulfanylpiperidine-1-carboxamide (CID 165469353) is 4-sulfanylpiperidine-1-carboxamide.
What is the SMILES notation for 4-sulfanylpiperidine-1-carboxamide?
The canonical SMILES for 4-sulfanylpiperidine-1-carboxamide is NC(=O)N1CCC(S)CC1.
What is the InChIKey of 4-sulfanylpiperidine-1-carboxamide?
The InChIKey is TWNLQRCWVDHECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c7-6(9)8-3-1-5(10)2-4-8/h5,10H,1-4H2,(H2,7,9).
What are the key properties of 4-sulfanylpiperidine-1-carboxamide?
4-sulfanylpiperidine-1-carboxamide has a molecular weight of 160.24 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylpiperidine-1-carboxamide is sourced from PubChem (CID 165469353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).