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

C8H20N2O2S — CID 167049176

IUPAC4-methyl-1-[methyl(sulfamoyl)amino]hexane
SMILESCCC(C)CCCN(C)S(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-8(2)6-5-7-10(3)13(9,11)12/h8H,4-7H2,1-3H3,(H2,9,11,12)
InChIKeyTVENJASPEQYQHB-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.95
Rot. Bonds6

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

4-methyl-1-[methyl(sulfamoyl)amino]hexane (PubChem CID 167049176) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-methyl-1-[methyl(sulfamoyl)amino]hexane.

Molecular Properties

Compound Name4-methyl-1-[methyl(sulfamoyl)amino]hexane
PubChem CID167049176
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name4-methyl-1-[methyl(sulfamoyl)amino]hexane
SMILESCCC(C)CCCN(C)S(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-8(2)6-5-7-10(3)13(9,11)12/h8H,4-7H2,1-3H3,(H2,9,11,12)
InChIKeyTVENJASPEQYQHB-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl(sulfamoyl)amino]hexane?
The IUPAC name of 4-methyl-1-[methyl(sulfamoyl)amino]hexane (CID 167049176) is 4-methyl-1-[methyl(sulfamoyl)amino]hexane.
What is the SMILES notation for 4-methyl-1-[methyl(sulfamoyl)amino]hexane?
The canonical SMILES for 4-methyl-1-[methyl(sulfamoyl)amino]hexane is CCC(C)CCCN(C)S(N)(=O)=O.
What is the InChIKey of 4-methyl-1-[methyl(sulfamoyl)amino]hexane?
The InChIKey is TVENJASPEQYQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-8(2)6-5-7-10(3)13(9,11)12/h8H,4-7H2,1-3H3,(H2,9,11,12).
What are the key properties of 4-methyl-1-[methyl(sulfamoyl)amino]hexane?
4-methyl-1-[methyl(sulfamoyl)amino]hexane has a molecular weight of 208.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl(sulfamoyl)amino]hexane is sourced from PubChem (CID 167049176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).