(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide

C16H30N2O3S — CID 41447237

IUPAC(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C16H30N2O3S/c1-2-22(20,21)18-12-8-9-14(13-18)16(19)17-15-10-6-4-3-5-7-11-15/h14-15H,2-13H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyOROILHGXZXQGJA-AWEZNQCLSA-N
MW330.49 g/mol
LogP2.28
Rot. Bonds4

About (3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide

(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 41447237) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is (3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID41447237
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C16H30N2O3S/c1-2-22(20,21)18-12-8-9-14(13-18)16(19)17-15-10-6-4-3-5-7-11-15/h14-15H,2-13H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyOROILHGXZXQGJA-AWEZNQCLSA-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-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 3238187
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 92641525
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 92641524
N-cyclohexyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552797
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3R)-N-cyclohexyl-1-methylpiperidine-3-carboxamide
CID 95183728
N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43417208
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide (CID 41447237) is (3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCCC2)C1.
What is the InChIKey of (3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is OROILHGXZXQGJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-2-22(20,21)18-12-8-9-14(13-18)16(19)17-15-10-6-4-3-5-7-11-15/h14-15H,2-13H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide?
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-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 (3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41447237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).