N-butyl-1-methylsulfonylpiperidine-3-carboxamide

C11H22N2O3S — CID 3453576

IUPACN-butyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-3-4-7-12-11(14)10-6-5-8-13(9-10)17(2,15)16/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyLNQRHBVRDLBJPZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds5

About N-butyl-1-methylsulfonylpiperidine-3-carboxamide

N-butyl-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 3453576) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-butyl-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID3453576
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-butyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-3-4-7-12-11(14)10-6-5-8-13(9-10)17(2,15)16/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyLNQRHBVRDLBJPZ-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.57
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-(3-methoxypropyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2990797
1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 3242535
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3244262
N-Butyl-1-(propane-1-sulfonyl)piperidine-3-carboxamide
CID 5193635
N-butyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 5136285
Pentanamide, N-(1-(ethylsulfonyl)-4-piperidinyl)-2-propyl-
CID 1822717
N-cyclohexyl-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236558
N-isopropyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3237649
1-(ethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3238160
N-(3-Methoxypropyl)-1-(propane-1-sulfonyl)piperidine-3-carboxamide
CID 4621782
1-(ethylsulfonyl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)piperidine-3-carboxamide
CID 3237516
N-cyclopentyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3239584

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-1-methylsulfonylpiperidine-3-carboxamide (CID 3453576) is N-butyl-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-methylsulfonylpiperidine-3-carboxamide is CCCCNC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-butyl-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is LNQRHBVRDLBJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-4-7-12-11(14)10-6-5-8-13(9-10)17(2,15)16/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-butyl-1-methylsulfonylpiperidine-3-carboxamide?
N-butyl-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3453576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).