1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide

C11H20N2O2S — CID 107026089

IUPAC1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
SMILESCC(C)C(S)C(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C11H20N2O2S/c1-7(2)9(16)11(15)13-6-4-3-5-8(13)10(12)14/h7-9,16H,3-6H2,1-2H3,(H2,12,14)
InChIKeyOPGAANKVVJNHKN-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.81
Rot. Bonds3

About 1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide

1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide (PubChem CID 107026089) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
PubChem CID107026089
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
SMILESCC(C)C(S)C(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C11H20N2O2S/c1-7(2)9(16)11(15)13-6-4-3-5-8(13)10(12)14/h7-9,16H,3-6H2,1-2H3,(H2,12,14)
InChIKeyOPGAANKVVJNHKN-UHFFFAOYSA-N
XLogP0.81
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.81
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-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897445
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
1-(2-bromobutanoyl)piperidine-2-carboxamide
CID 62854478
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
1-[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butanoyl]piperidine-2-carboxamide
CID 175883803
1-(3-amino-2-methoxypropanoyl)piperidine-2-carboxamide
CID 106111923
ethyl 2-(2-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537911

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide?
The IUPAC name of 1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide (CID 107026089) is 1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide is CC(C)C(S)C(=O)N1CCCCC1C(N)=O.
What is the InChIKey of 1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide?
The InChIKey is OPGAANKVVJNHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7(2)9(16)11(15)13-6-4-3-5-8(13)10(12)14/h7-9,16H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide?
1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 107026089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).