1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane

C8H18N2O2S — CID 60728780

IUPAC1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane
SMILESCC1CCC(N(C)S(N)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-7-3-5-8(6-4-7)10(2)13(9,11)12/h7-8H,3-6H2,1-2H3,(H2,9,11,12)
InChIKeyZYIFSDRQLKYMIU-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.70
Rot. Bonds2

About 1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane

1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane (PubChem CID 60728780) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane
PubChem CID60728780
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane
SMILESCC1CCC(N(C)S(N)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-7-3-5-8(6-4-7)10(2)13(9,11)12/h7-8H,3-6H2,1-2H3,(H2,9,11,12)
InChIKeyZYIFSDRQLKYMIU-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane?
The IUPAC name of 1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane (CID 60728780) is 1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane.
What is the SMILES notation for 1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane?
The canonical SMILES for 1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane is CC1CCC(N(C)S(N)(=O)=O)CC1.
What is the InChIKey of 1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane?
The InChIKey is ZYIFSDRQLKYMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7-3-5-8(6-4-7)10(2)13(9,11)12/h7-8H,3-6H2,1-2H3,(H2,9,11,12).
What are the key properties of 1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane?
1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane has a molecular weight of 206.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[methyl(sulfamoyl)amino]cyclohexane is sourced from PubChem (CID 60728780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).