3-methyl-3-(sulfamoylamino)hexane

C7H18N2O2S — CID 129203696

IUPAC3-methyl-3-(sulfamoylamino)hexane
SMILESCCCC(C)(CC)NS(N)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-4-6-7(3,5-2)9-12(8,10)11/h9H,4-6H2,1-3H3,(H2,8,10,11)
InChIKeyIITUQRNNQDQJAV-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.75
Rot. Bonds5

About 3-methyl-3-(sulfamoylamino)hexane

3-methyl-3-(sulfamoylamino)hexane (PubChem CID 129203696) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-methyl-3-(sulfamoylamino)hexane.

Molecular Properties

Compound Name3-methyl-3-(sulfamoylamino)hexane
PubChem CID129203696
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name3-methyl-3-(sulfamoylamino)hexane
SMILESCCCC(C)(CC)NS(N)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-4-6-7(3,5-2)9-12(8,10)11/h9H,4-6H2,1-3H3,(H2,8,10,11)
InChIKeyIITUQRNNQDQJAV-UHFFFAOYSA-N
XLogP0.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(sulfamoylamino)hexane?
The IUPAC name of 3-methyl-3-(sulfamoylamino)hexane (CID 129203696) is 3-methyl-3-(sulfamoylamino)hexane.
What is the SMILES notation for 3-methyl-3-(sulfamoylamino)hexane?
The canonical SMILES for 3-methyl-3-(sulfamoylamino)hexane is CCCC(C)(CC)NS(N)(=O)=O.
What is the InChIKey of 3-methyl-3-(sulfamoylamino)hexane?
The InChIKey is IITUQRNNQDQJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-6-7(3,5-2)9-12(8,10)11/h9H,4-6H2,1-3H3,(H2,8,10,11).
What are the key properties of 3-methyl-3-(sulfamoylamino)hexane?
3-methyl-3-(sulfamoylamino)hexane has a molecular weight of 194.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(sulfamoylamino)hexane is sourced from PubChem (CID 129203696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).