N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

C17H30N2O3S — CID 113137529

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCCC1)CCC1=CCCCC1
InChIInChI=1S/C17H30N2O3S/c1-23(21,22)19(14-10-16-8-4-2-5-9-16)15-11-17(20)18-12-6-3-7-13-18/h8H,2-7,9-15H2,1H3
InChIKeyDXXMOQHXYLTPRU-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.54
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (PubChem CID 113137529) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
PubChem CID113137529
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCCC1)CCC1=CCCCC1
InChIInChI=1S/C17H30N2O3S/c1-23(21,22)19(14-10-16-8-4-2-5-9-16)15-11-17(20)18-12-6-3-7-13-18/h8H,2-7,9-15H2,1H3
InChIKeyDXXMOQHXYLTPRU-UHFFFAOYSA-N
XLogP2.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.54
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

N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
CID 113149130
N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113065929
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
CID 113137588
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113137549
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113137618
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113149104
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]-4-fluorobenzamide
CID 113065900
N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137802
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113065889

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (CID 113137529) is N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCCCC1)CCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The InChIKey is DXXMOQHXYLTPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-23(21,22)19(14-10-16-8-4-2-5-9-16)15-11-17(20)18-12-6-3-7-13-18/h8H,2-7,9-15H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide has a molecular weight of 342.51 g/mol, XLogP of 2.54, 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-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113137529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).