N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide

C11H21NO3S — CID 18714022

IUPACN-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide
SMILESCC(C)(CNS(C)(=O)=O)C1CCC(=O)CC1
InChIInChI=1S/C11H21NO3S/c1-11(2,8-12-16(3,14)15)9-4-6-10(13)7-5-9/h9,12H,4-8H2,1-3H3
InChIKeyNGMISAOTHKNOMO-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.32
Rot. Bonds4

About N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide

N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide (PubChem CID 18714022) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide
PubChem CID18714022
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide
SMILESCC(C)(CNS(C)(=O)=O)C1CCC(=O)CC1
InChIInChI=1S/C11H21NO3S/c1-11(2,8-12-16(3,14)15)9-4-6-10(13)7-5-9/h9,12H,4-8H2,1-3H3
InChIKeyNGMISAOTHKNOMO-UHFFFAOYSA-N
XLogP1.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-oxocyclohexyl]propyl] 2-propanesulfonamide
CID 15489190
N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide
CID 22624679
N-[2-[4-oxocyclohexyl]ethyl] 2-propanesulfonamide
CID 22624691
N-[(3R)-1-cyclohexyl-4-oxopentan-3-yl]methanesulfonamide
CID 59013296
N-(1-cyclohexyl-2-oxopropyl)methanesulfonamide
CID 59945947
N-[3-(4-oxocyclohexyl)propyl]methanesulfonamide
CID 68003452
N-(3,3-dimethyl-2-oxoheptyl)methanesulfonamide
CID 167290777
N-(3-heptyl-2-oxodecyl)methanesulfonamide
CID 169993850

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide (CID 18714022) is N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide is CC(C)(CNS(C)(=O)=O)C1CCC(=O)CC1.
What is the InChIKey of N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide?
The InChIKey is NGMISAOTHKNOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2,8-12-16(3,14)15)9-4-6-10(13)7-5-9/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide?
N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide has a molecular weight of 247.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide is sourced from PubChem (CID 18714022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).