N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide

C11H20N2O3S — CID 79119914

IUPACN-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide
SMILESCN(C1CCC(=O)CC1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H20N2O3S/c1-12(10-4-6-11(14)7-5-10)17(15,16)13-8-2-3-9-13/h10H,2-9H2,1H3
InChIKeyOUHBQUWCKZCVOS-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.77
Rot. Bonds3

About N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide

N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide (PubChem CID 79119914) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide
PubChem CID79119914
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide
SMILESCN(C1CCC(=O)CC1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H20N2O3S/c1-12(10-4-6-11(14)7-5-10)17(15,16)13-8-2-3-9-13/h10H,2-9H2,1H3
InChIKeyOUHBQUWCKZCVOS-UHFFFAOYSA-N
XLogP0.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide (CID 79119914) is N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide is CN(C1CCC(=O)CC1)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide?
The InChIKey is OUHBQUWCKZCVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-12(10-4-6-11(14)7-5-10)17(15,16)13-8-2-3-9-13/h10H,2-9H2,1H3.
What are the key properties of N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide?
N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxocyclohexyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 79119914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).