2,2,4-trimethyl-1-(sulfamoylamino)pentane

C8H20N2O2S — CID 89105586

IUPAC2,2,4-trimethyl-1-(sulfamoylamino)pentane
SMILESCC(C)CC(C)(C)CNS(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-7(2)5-8(3,4)6-10-13(9,11)12/h7,10H,5-6H2,1-4H3,(H2,9,11,12)
InChIKeyVYSBYXLIYHAPQU-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.85
Rot. Bonds5

About 2,2,4-trimethyl-1-(sulfamoylamino)pentane

2,2,4-trimethyl-1-(sulfamoylamino)pentane (PubChem CID 89105586) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-(sulfamoylamino)pentane.

Molecular Properties

Compound Name2,2,4-trimethyl-1-(sulfamoylamino)pentane
PubChem CID89105586
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name2,2,4-trimethyl-1-(sulfamoylamino)pentane
SMILESCC(C)CC(C)(C)CNS(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-7(2)5-8(3,4)6-10-13(9,11)12/h7,10H,5-6H2,1-4H3,(H2,9,11,12)
InChIKeyVYSBYXLIYHAPQU-UHFFFAOYSA-N
XLogP0.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-(sulfamoylamino)pentane?
The IUPAC name of 2,2,4-trimethyl-1-(sulfamoylamino)pentane (CID 89105586) is 2,2,4-trimethyl-1-(sulfamoylamino)pentane.
What is the SMILES notation for 2,2,4-trimethyl-1-(sulfamoylamino)pentane?
The canonical SMILES for 2,2,4-trimethyl-1-(sulfamoylamino)pentane is CC(C)CC(C)(C)CNS(N)(=O)=O.
What is the InChIKey of 2,2,4-trimethyl-1-(sulfamoylamino)pentane?
The InChIKey is VYSBYXLIYHAPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-7(2)5-8(3,4)6-10-13(9,11)12/h7,10H,5-6H2,1-4H3,(H2,9,11,12).
What are the key properties of 2,2,4-trimethyl-1-(sulfamoylamino)pentane?
2,2,4-trimethyl-1-(sulfamoylamino)pentane has a molecular weight of 208.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-(sulfamoylamino)pentane is sourced from PubChem (CID 89105586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).