N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide

C11H21NO3S — CID 22624691

IUPACN-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC1CCC(=O)CC1
InChIInChI=1S/C11H21NO3S/c1-9(2)16(14,15)12-8-7-10-3-5-11(13)6-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyNJDJHBUNOAAIAZ-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide

N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide (PubChem CID 22624691) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide
PubChem CID22624691
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC1CCC(=O)CC1
InChIInChI=1S/C11H21NO3S/c1-9(2)16(14,15)12-8-7-10-3-5-11(13)6-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyNJDJHBUNOAAIAZ-UHFFFAOYSA-N
XLogP1.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide (CID 22624691) is N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCC1CCC(=O)CC1.
What is the InChIKey of N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide?
The InChIKey is NJDJHBUNOAAIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-9(2)16(14,15)12-8-7-10-3-5-11(13)6-4-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide?
N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide has a molecular weight of 247.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxocyclohexyl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 22624691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).