N-methyl-1-sulfanylpiperidine-4-carboxamide

C7H14N2OS — CID 88912319

IUPACN-methyl-1-sulfanylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S)CC1
InChIInChI=1S/C7H14N2OS/c1-8-7(10)6-2-4-9(11)5-3-6/h6,11H,2-5H2,1H3,(H,8,10)
InChIKeyQMTRCPWFCVFQIF-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.29
Rot. Bonds1

About N-methyl-1-sulfanylpiperidine-4-carboxamide

N-methyl-1-sulfanylpiperidine-4-carboxamide (PubChem CID 88912319) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-methyl-1-sulfanylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-sulfanylpiperidine-4-carboxamide
PubChem CID88912319
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-methyl-1-sulfanylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S)CC1
InChIInChI=1S/C7H14N2OS/c1-8-7(10)6-2-4-9(11)5-3-6/h6,11H,2-5H2,1H3,(H,8,10)
InChIKeyQMTRCPWFCVFQIF-UHFFFAOYSA-N
XLogP0.29
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.29
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

N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 166167704
3-[4-(methylcarbamoyl)piperidin-1-yl]prop-2-enoic acid
CID 79895989
4-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784854
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
1-(2-aminopropyl)-N-methylpiperidine-4-carboxamide
CID 102688944
N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
CID 79396383
2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid
CID 79406833

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-sulfanylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-sulfanylpiperidine-4-carboxamide (CID 88912319) is N-methyl-1-sulfanylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-sulfanylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-sulfanylpiperidine-4-carboxamide is CNC(=O)C1CCN(S)CC1.
What is the InChIKey of N-methyl-1-sulfanylpiperidine-4-carboxamide?
The InChIKey is QMTRCPWFCVFQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-8-7(10)6-2-4-9(11)5-3-6/h6,11H,2-5H2,1H3,(H,8,10).
What are the key properties of N-methyl-1-sulfanylpiperidine-4-carboxamide?
N-methyl-1-sulfanylpiperidine-4-carboxamide has a molecular weight of 174.27 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-sulfanylpiperidine-4-carboxamide is sourced from PubChem (CID 88912319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).