4-(propylsulfamoylamino)cyclohexan-1-one

C9H18N2O3S — CID 114808704

IUPAC4-(propylsulfamoylamino)cyclohexan-1-one
SMILESCCCNS(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C9H18N2O3S/c1-2-7-10-15(13,14)11-8-3-5-9(12)6-4-8/h8,10-11H,2-7H2,1H3
InChIKeyWNQGTHFRRCMHQJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.33
Rot. Bonds5

About 4-(propylsulfamoylamino)cyclohexan-1-one

4-(propylsulfamoylamino)cyclohexan-1-one (PubChem CID 114808704) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(propylsulfamoylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(propylsulfamoylamino)cyclohexan-1-one
PubChem CID114808704
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name4-(propylsulfamoylamino)cyclohexan-1-one
SMILESCCCNS(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C9H18N2O3S/c1-2-7-10-15(13,14)11-8-3-5-9(12)6-4-8/h8,10-11H,2-7H2,1H3
InChIKeyWNQGTHFRRCMHQJ-UHFFFAOYSA-N
XLogP0.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(propylsulfamoylamino)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexan-1-one
CID 114808708
N-(4-oxocyclohexyl)methanesulfonamide
CID 43653017
4-Aminocyclohexan-1-one;ethane
CID 142287565
1-(Diethylsulfamoylamino)-4-oxocyclohexane
CID 43652996
2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide
CID 43653004
1-(Dimethylsulfamoylamino)-4-oxocyclohexane
CID 43653005
1-[[Methyl(propan-2-yl)sulfamoyl]amino]-4-oxocyclohexane
CID 61453667
2-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
CID 63688985
4-[Methyl-[methyl(propan-2-yl)sulfamoyl]amino]cyclohexan-1-one
CID 79120646
4-[Dimethylsulfamoyl(methyl)amino]cyclohexan-1-one
CID 79120647
1-[Cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane
CID 114808617
1-[Methyl(propylsulfamoyl)amino]-4-oxocyclohexane
CID 114808618

Frequently Asked Questions

What is the IUPAC name of 4-(propylsulfamoylamino)cyclohexan-1-one?
The IUPAC name of 4-(propylsulfamoylamino)cyclohexan-1-one (CID 114808704) is 4-(propylsulfamoylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(propylsulfamoylamino)cyclohexan-1-one?
The canonical SMILES for 4-(propylsulfamoylamino)cyclohexan-1-one is CCCNS(=O)(=O)NC1CCC(=O)CC1.
What is the InChIKey of 4-(propylsulfamoylamino)cyclohexan-1-one?
The InChIKey is WNQGTHFRRCMHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-7-10-15(13,14)11-8-3-5-9(12)6-4-8/h8,10-11H,2-7H2,1H3.
What are the key properties of 4-(propylsulfamoylamino)cyclohexan-1-one?
4-(propylsulfamoylamino)cyclohexan-1-one has a molecular weight of 234.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylsulfamoylamino)cyclohexan-1-one is sourced from PubChem (CID 114808704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).