1-(2-sulfanylpropanoyl)piperidine-3-carboxamide

C9H16N2O2S — CID 107019311

IUPAC1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
SMILESCC(S)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C9H16N2O2S/c1-6(14)9(13)11-4-2-3-7(5-11)8(10)12/h6-7,14H,2-5H2,1H3,(H2,10,12)
InChIKeyVBPINDRPKOGGNI-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.03
Rot. Bonds2

About 1-(2-sulfanylpropanoyl)piperidine-3-carboxamide

1-(2-sulfanylpropanoyl)piperidine-3-carboxamide (PubChem CID 107019311) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-(2-sulfanylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
PubChem CID107019311
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
SMILESCC(S)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C9H16N2O2S/c1-6(14)9(13)11-4-2-3-7(5-11)8(10)12/h6-7,14H,2-5H2,1H3,(H2,10,12)
InChIKeyVBPINDRPKOGGNI-UHFFFAOYSA-N
XLogP0.03
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide
CID 21301388
1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
CID 134037918
1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56811023
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
CID 81081411
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
1-[(E)-C-aminocarbonohydrazonoyl]piperidine-3-carboxamide
CID 126972262
(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95167870
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
CID 94164900

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-sulfanylpropanoyl)piperidine-3-carboxamide (CID 107019311) is 1-(2-sulfanylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-sulfanylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-sulfanylpropanoyl)piperidine-3-carboxamide is CC(S)C(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(2-sulfanylpropanoyl)piperidine-3-carboxamide?
The InChIKey is VBPINDRPKOGGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-6(14)9(13)11-4-2-3-7(5-11)8(10)12/h6-7,14H,2-5H2,1H3,(H2,10,12).
What are the key properties of 1-(2-sulfanylpropanoyl)piperidine-3-carboxamide?
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide has a molecular weight of 216.31 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 107019311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).