N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide

C10H19NO3S — CID 58562881

IUPACN-[1-(4-oxocyclohexyl)propyl]methanesulfonamide
SMILESCCC(NS(C)(=O)=O)C1CCC(=O)CC1
InChIInChI=1S/C10H19NO3S/c1-3-10(11-15(2,13)14)8-4-6-9(12)7-5-8/h8,10-11H,3-7H2,1-2H3
InChIKeyPDOKJZWLBQTEBM-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.07
Rot. Bonds4

About N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide

N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide (PubChem CID 58562881) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-oxocyclohexyl)propyl]methanesulfonamide
PubChem CID58562881
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[1-(4-oxocyclohexyl)propyl]methanesulfonamide
SMILESCCC(NS(C)(=O)=O)C1CCC(=O)CC1
InChIInChI=1S/C10H19NO3S/c1-3-10(11-15(2,13)14)8-4-6-9(12)7-5-8/h8,10-11H,3-7H2,1-2H3
InChIKeyPDOKJZWLBQTEBM-UHFFFAOYSA-N
XLogP1.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide?
The IUPAC name of N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide (CID 58562881) is N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide?
The canonical SMILES for N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide is CCC(NS(C)(=O)=O)C1CCC(=O)CC1.
What is the InChIKey of N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide?
The InChIKey is PDOKJZWLBQTEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-3-10(11-15(2,13)14)8-4-6-9(12)7-5-8/h8,10-11H,3-7H2,1-2H3.
What are the key properties of N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide?
N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide has a molecular weight of 233.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide is sourced from PubChem (CID 58562881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).