N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide

C13H25NO3S — CID 22624679

IUPACN-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C)(C)C1CCC(=O)CC1
InChIInChI=1S/C13H25NO3S/c1-10(2)18(16,17)14-9-13(3,4)11-5-7-12(15)8-6-11/h10-11,14H,5-9H2,1-4H3
InChIKeyDSGOMRAEAVGTND-UHFFFAOYSA-N
MW275.41 g/mol
LogP2.10
Rot. Bonds5

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

N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide (PubChem CID 22624679) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide
PubChem CID22624679
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C)(C)C1CCC(=O)CC1
InChIInChI=1S/C13H25NO3S/c1-10(2)18(16,17)14-9-13(3,4)11-5-7-12(15)8-6-11/h10-11,14H,5-9H2,1-4H3
InChIKeyDSGOMRAEAVGTND-UHFFFAOYSA-N
XLogP2.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide (CID 22624679) is N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(C)(C)C1CCC(=O)CC1.
What is the InChIKey of N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide?
The InChIKey is DSGOMRAEAVGTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-10(2)18(16,17)14-9-13(3,4)11-5-7-12(15)8-6-11/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide?
N-[2-methyl-2-(4-oxocyclohexyl)propyl]propane-2-sulfonamide has a molecular weight of 275.41 g/mol, XLogP of 2.10, 5 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]propane-2-sulfonamide is sourced from PubChem (CID 22624679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).