2,2,5-trimethyl-3-(sulfamoylamino)hexane

C9H22N2O2S — CID 84584411

IUPAC2,2,5-trimethyl-3-(sulfamoylamino)hexane
SMILESCC(C)CC(NS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-7(2)6-8(9(3,4)5)11-14(10,12)13/h7-8,11H,6H2,1-5H3,(H2,10,12,13)
InChIKeyFKEIPYPWNAESCH-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.24
Rot. Bonds4

About 2,2,5-trimethyl-3-(sulfamoylamino)hexane

2,2,5-trimethyl-3-(sulfamoylamino)hexane (PubChem CID 84584411) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 2,2,5-trimethyl-3-(sulfamoylamino)hexane.

Molecular Properties

Compound Name2,2,5-trimethyl-3-(sulfamoylamino)hexane
PubChem CID84584411
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name2,2,5-trimethyl-3-(sulfamoylamino)hexane
SMILESCC(C)CC(NS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-7(2)6-8(9(3,4)5)11-14(10,12)13/h7-8,11H,6H2,1-5H3,(H2,10,12,13)
InChIKeyFKEIPYPWNAESCH-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-3-(sulfamoylamino)hexane?
The IUPAC name of 2,2,5-trimethyl-3-(sulfamoylamino)hexane (CID 84584411) is 2,2,5-trimethyl-3-(sulfamoylamino)hexane.
What is the SMILES notation for 2,2,5-trimethyl-3-(sulfamoylamino)hexane?
The canonical SMILES for 2,2,5-trimethyl-3-(sulfamoylamino)hexane is CC(C)CC(NS(N)(=O)=O)C(C)(C)C.
What is the InChIKey of 2,2,5-trimethyl-3-(sulfamoylamino)hexane?
The InChIKey is FKEIPYPWNAESCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-7(2)6-8(9(3,4)5)11-14(10,12)13/h7-8,11H,6H2,1-5H3,(H2,10,12,13).
What are the key properties of 2,2,5-trimethyl-3-(sulfamoylamino)hexane?
2,2,5-trimethyl-3-(sulfamoylamino)hexane has a molecular weight of 222.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-3-(sulfamoylamino)hexane is sourced from PubChem (CID 84584411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).