N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide

C16H28N2O3S — CID 17018099

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H28N2O3S/c1-2-22(20,21)18-12-6-9-15(13-18)16(19)17-11-10-14-7-4-3-5-8-14/h7,15H,2-6,8-13H2,1H3,(H,17,19)
InChIKeyOINQKGJEQNGAMB-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 17018099) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID17018099
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H28N2O3S/c1-2-22(20,21)18-12-6-9-15(13-18)16(19)17-11-10-14-7-4-3-5-8-14/h7,15H,2-6,8-13H2,1H3,(H,17,19)
InChIKeyOINQKGJEQNGAMB-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide (CID 17018099) is N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is OINQKGJEQNGAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-2-22(20,21)18-12-6-9-15(13-18)16(19)17-11-10-14-7-4-3-5-8-14/h7,15H,2-6,8-13H2,1H3,(H,17,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 17018099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).