4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide

C11H22N2O3S — CID 63122628

IUPAC4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
SMILESCC1(C(=O)NCCCS(C)(=O)=O)CCNCC1
InChIInChI=1S/C11H22N2O3S/c1-11(4-7-12-8-5-11)10(14)13-6-3-9-17(2,15)16/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyGUEVFDJETFNTHA-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.07
Rot. Bonds5

About 4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide

4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide (PubChem CID 63122628) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
PubChem CID63122628
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
SMILESCC1(C(=O)NCCCS(C)(=O)=O)CCNCC1
InChIInChI=1S/C11H22N2O3S/c1-11(4-7-12-8-5-11)10(14)13-6-3-9-17(2,15)16/h12H,3-9H2,1-2H3,(H,13,14)
InChIKeyGUEVFDJETFNTHA-UHFFFAOYSA-N
XLogP-0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-4-methylpiperidine-4-carboxamide
CID 106842133
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate
CID 63122388
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
1-amino-N-(3-methylsulfonylpropyl)cyclopentane-1-carboxamide
CID 61036737
ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate
CID 64576191
1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide
CID 80587484
N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide
CID 55177593
N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide
CID 115760353
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 115740541
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 63122358

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide (CID 63122628) is 4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide is CC1(C(=O)NCCCS(C)(=O)=O)CCNCC1.
What is the InChIKey of 4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide?
The InChIKey is GUEVFDJETFNTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(4-7-12-8-5-11)10(14)13-6-3-9-17(2,15)16/h12H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide?
4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide has a molecular weight of 262.37 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 63122628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).