N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide

C10H19NO3S — CID 79120565

IUPACN-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C10H19NO3S/c1-8(2)15(13,14)11(3)9-4-6-10(12)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyPSWCSYKOUAFTCM-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.17
Rot. Bonds3

About N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide

N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide (PubChem CID 79120565) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
PubChem CID79120565
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C10H19NO3S/c1-8(2)15(13,14)11(3)9-4-6-10(12)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyPSWCSYKOUAFTCM-UHFFFAOYSA-N
XLogP1.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.17
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)propane-2-sulfonamide?
The IUPAC name of N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide (CID 79120565) is N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(C)C1CCC(=O)CC1.
What is the InChIKey of N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide?
The InChIKey is PSWCSYKOUAFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8(2)15(13,14)11(3)9-4-6-10(12)7-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide?
N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide has a molecular weight of 233.33 g/mol, XLogP of 1.17, 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)propane-2-sulfonamide is sourced from PubChem (CID 79120565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).