3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide

C11H22N2O3S — CID 113234945

IUPAC3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCS(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-10-5-3-7-13(9-10)11(14)12-6-4-8-17(2,15)16/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyLHLXKNFKSLKVRG-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.86
Rot. Bonds4

About 3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide

3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide (PubChem CID 113234945) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
PubChem CID113234945
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCS(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-10-5-3-7-13(9-10)11(14)12-6-4-8-17(2,15)16/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyLHLXKNFKSLKVRG-UHFFFAOYSA-N
XLogP0.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide
CID 97108959
N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide
CID 79159564
2-[(3-methylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61186527
3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
CID 86811915
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide
CID 79163603
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-carboxamide
CID 115629689
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboxamide
CID 115623615
(3S)-N-[2-(benzylsulfamoyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 124625875

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide (CID 113234945) is 3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide is CC1CCCN(C(=O)NCCCS(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide?
The InChIKey is LHLXKNFKSLKVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10-5-3-7-13(9-10)11(14)12-6-4-8-17(2,15)16/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide?
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 113234945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).