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

C9H20N2O2S — CID 61449157

IUPAC1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane
SMILESCCC1CCC(N(C)S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-8-4-6-9(7-5-8)11(2)14(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13)
InChIKeyBUHBFBKRJJNLIL-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.09
Rot. Bonds3

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

1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane (PubChem CID 61449157) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane
PubChem CID61449157
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane
SMILESCCC1CCC(N(C)S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-8-4-6-9(7-5-8)11(2)14(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13)
InChIKeyBUHBFBKRJJNLIL-UHFFFAOYSA-N
XLogP1.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane?
The IUPAC name of 1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane (CID 61449157) is 1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane?
The canonical SMILES for 1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane is CCC1CCC(N(C)S(N)(=O)=O)CC1.
What is the InChIKey of 1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane?
The InChIKey is BUHBFBKRJJNLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-8-4-6-9(7-5-8)11(2)14(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13).
What are the key properties of 1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane?
1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane has a molecular weight of 220.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[methyl(sulfamoyl)amino]cyclohexane is sourced from PubChem (CID 61449157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).