N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide

C17H30N2O3S — CID 127864106

IUPACN-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C17H30N2O3S/c1-18(14-8-3-2-4-9-14)23(21,22)19-13-7-11-16(19)15-10-5-6-12-17(15)20/h14-16H,2-13H2,1H3
InChIKeyGINUWGAINNDGMI-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.72
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide

N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide (PubChem CID 127864106) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
PubChem CID127864106
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC NameN-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C17H30N2O3S/c1-18(14-8-3-2-4-9-14)23(21,22)19-13-7-11-16(19)15-10-5-6-12-17(15)20/h14-16H,2-13H2,1H3
InChIKeyGINUWGAINNDGMI-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide (CID 127864106) is N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCCC1C1CCCCC1=O.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide?
The InChIKey is GINUWGAINNDGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-18(14-8-3-2-4-9-14)23(21,22)19-13-7-11-16(19)15-10-5-6-12-17(15)20/h14-16H,2-13H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide?
N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide has a molecular weight of 342.51 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 127864106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).