1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane

C10H20N2O3S — CID 114808618

IUPAC1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane
SMILESCCCNS(=O)(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-3-8-11-16(14,15)12(2)9-4-6-10(13)7-5-9/h9,11H,3-8H2,1-2H3
InChIKeyRSCZCMAPNSWEBG-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.67
Rot. Bonds5

About 1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane

1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane (PubChem CID 114808618) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane.

Molecular Properties

Compound Name1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane
PubChem CID114808618
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane
SMILESCCCNS(=O)(=O)N(C)C1CCC(=O)CC1
InChIInChI=1S/C10H20N2O3S/c1-3-8-11-16(14,15)12(2)9-4-6-10(13)7-5-9/h9,11H,3-8H2,1-2H3
InChIKeyRSCZCMAPNSWEBG-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane?
The IUPAC name of 1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane (CID 114808618) is 1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane.
What is the SMILES notation for 1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane?
The canonical SMILES for 1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane is CCCNS(=O)(=O)N(C)C1CCC(=O)CC1.
What is the InChIKey of 1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane?
The InChIKey is RSCZCMAPNSWEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-8-11-16(14,15)12(2)9-4-6-10(13)7-5-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane?
1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane has a molecular weight of 248.35 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propylsulfamoyl)amino]-4-oxocyclohexane is sourced from PubChem (CID 114808618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).