N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide

C16H30N2O3S — CID 3245993

IUPACN-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C16H30N2O3S/c1-2-22(20,21)18-12-10-14(11-13-18)16(19)17-15-8-6-4-3-5-7-9-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyGBIPKNJOFQQYNH-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.28
Rot. Bonds4

About N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide

N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 3245993) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID3245993
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C16H30N2O3S/c1-2-22(20,21)18-12-10-14(11-13-18)16(19)17-15-8-6-4-3-5-7-9-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyGBIPKNJOFQQYNH-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236575
N-(2,3-dimethylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3238260
N-(2-methylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3238894
N-cyclooctyl-1-[(diisobutylamino)sulfonyl]piperidine-4-carboxamide
CID 3245451
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
N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide
CID 57395107
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
Pentanamide, N-(1-(ethylsulfonyl)-4-piperidinyl)-2-propyl-
CID 1822717
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide (CID 3245993) is N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1.
What is the InChIKey of N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is GBIPKNJOFQQYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-2-22(20,21)18-12-10-14(11-13-18)16(19)17-15-8-6-4-3-5-7-9-15/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide?
N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.49 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3245993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).