N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide

C10H18N2O2S — CID 107026107

IUPACN-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)C(C)S
InChIInChI=1S/C10H18N2O2S/c1-7(15)10(14)12-6-4-3-5-8(12)9(13)11-2/h7-8,15H,3-6H2,1-2H3,(H,11,13)
InChIKeyQUFAXFOYSVXVJP-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.43
Rot. Bonds2

About N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide

N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide (PubChem CID 107026107) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
PubChem CID107026107
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)C(C)S
InChIInChI=1S/C10H18N2O2S/c1-7(15)10(14)12-6-4-3-5-8(12)9(13)11-2/h7-8,15H,3-6H2,1-2H3,(H,11,13)
InChIKeyQUFAXFOYSVXVJP-UHFFFAOYSA-N
XLogP0.43
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.43
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)-N-methylpiperidine-2-carboxamide
CID 60949285
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-2-carboxamide
CID 76925120
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
CID 76944384
1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide
CID 60944712
1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 120606534
propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 116654854
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide (CID 107026107) is N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)C(C)S.
What is the InChIKey of N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide?
The InChIKey is QUFAXFOYSVXVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(15)10(14)12-6-4-3-5-8(12)9(13)11-2/h7-8,15H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide?
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide has a molecular weight of 230.33 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 107026107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).