1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

C13H26N2O3S — CID 4580597

IUPAC1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C13H26N2O3S/c1-4-19(17,18)15-9-6-12(7-10-15)13(16)14-8-5-11(2)3/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyKWQVHKPTSFPDNT-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.21
Rot. Bonds6

About 1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 4580597) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID4580597
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C13H26N2O3S/c1-4-19(17,18)15-9-6-12(7-10-15)13(16)14-8-5-11(2)3/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyKWQVHKPTSFPDNT-UHFFFAOYSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxypropyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236383
N-cyclohexyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236575
N-(3-ethoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236874
N-(2-methylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3238894
1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
N-(3-methoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3241491
1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
N-[3-(1-azepanyl)propyl]-1-ethylsulfonyl-4-piperidinecarboxamide
CID 3244583
N-Butyl-1-(propane-1-sulfonyl)piperidine-3-carboxamide
CID 5193635
N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide
CID 57391642
N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide
CID 57391643
N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 57393386

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (CID 4580597) is 1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is KWQVHKPTSFPDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-19(17,18)15-9-6-12(7-10-15)13(16)14-8-5-11(2)3/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 4580597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).