N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide

C11H21NO3S — CID 79120310

IUPACN,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
SMILESCN(C1CCC(=O)CC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H21NO3S/c1-11(2,3)16(14,15)12(4)9-5-7-10(13)8-6-9/h9H,5-8H2,1-4H3
InChIKeyFKSPYHINLBJQSK-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.56
Rot. Bonds2

About N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide

N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide (PubChem CID 79120310) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
PubChem CID79120310
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
SMILESCN(C1CCC(=O)CC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H21NO3S/c1-11(2,3)16(14,15)12(4)9-5-7-10(13)8-6-9/h9H,5-8H2,1-4H3
InChIKeyFKSPYHINLBJQSK-UHFFFAOYSA-N
XLogP1.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide?
The IUPAC name of N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide (CID 79120310) is N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide is CN(C1CCC(=O)CC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide?
The InChIKey is FKSPYHINLBJQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2,3)16(14,15)12(4)9-5-7-10(13)8-6-9/h9H,5-8H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide?
N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide has a molecular weight of 247.36 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide is sourced from PubChem (CID 79120310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).