N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

C18H32N2O3S — CID 113137531

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCC1CCN(C(=O)CCN(CCC2=CCCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C18H32N2O3S/c1-16-8-12-19(13-9-16)18(21)11-15-20(24(2,22)23)14-10-17-6-4-3-5-7-17/h6,16H,3-5,7-15H2,1-2H3
InChIKeyUDRHBJYVIOCCSJ-UHFFFAOYSA-N
MW356.53 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113137531) has the molecular formula C18H32N2O3S and a molecular weight of 356.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113137531
Molecular FormulaC18H32N2O3S
Molecular Weight356.53 g/mol
Exact Mass356.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCC1CCN(C(=O)CCN(CCC2=CCCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C18H32N2O3S/c1-16-8-12-19(13-9-16)18(21)11-15-20(24(2,22)23)14-10-17-6-4-3-5-7-17/h6,16H,3-5,7-15H2,1-2H3
InChIKeyUDRHBJYVIOCCSJ-UHFFFAOYSA-N
XLogP2.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Cyclohexenyl)-1-{3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}-1-ethanone
CID 91910342
N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113116712
N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113116775
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137527
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137529
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide
CID 113137532
N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113137538
N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113137539
N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113137540
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
CID 113137541
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N,N-diethylpropanamide
CID 113137565
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(3-methylbutyl)propanamide
CID 113137568

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113137531) is N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is CC1CCN(C(=O)CCN(CCC2=CCCCC2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is UDRHBJYVIOCCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3S/c1-16-8-12-19(13-9-16)18(21)11-15-20(24(2,22)23)14-10-17-6-4-3-5-7-17/h6,16H,3-5,7-15H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 356.53 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113137531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).