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

C10H18N2O3S — CID 114808617

IUPAC1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane
SMILESCN(C1CCC(=O)CC1)S(=O)(=O)NC1CC1
InChIInChI=1S/C10H18N2O3S/c1-12(9-4-6-10(13)7-5-9)16(14,15)11-8-2-3-8/h8-9,11H,2-7H2,1H3
InChIKeyZNBVNGILEOHGKL-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.43
Rot. Bonds4

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

1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane (PubChem CID 114808617) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane.

Molecular Properties

Compound Name1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane
PubChem CID114808617
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane
SMILESCN(C1CCC(=O)CC1)S(=O)(=O)NC1CC1
InChIInChI=1S/C10H18N2O3S/c1-12(9-4-6-10(13)7-5-9)16(14,15)11-8-2-3-8/h8-9,11H,2-7H2,1H3
InChIKeyZNBVNGILEOHGKL-UHFFFAOYSA-N
XLogP0.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane?
The IUPAC name of 1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane (CID 114808617) is 1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane.
What is the SMILES notation for 1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane?
The canonical SMILES for 1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane is CN(C1CCC(=O)CC1)S(=O)(=O)NC1CC1.
What is the InChIKey of 1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane?
The InChIKey is ZNBVNGILEOHGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-12(9-4-6-10(13)7-5-9)16(14,15)11-8-2-3-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane?
1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane has a molecular weight of 246.33 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylsulfamoyl(methyl)amino]-4-oxocyclohexane is sourced from PubChem (CID 114808617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).