3-methyl-2-(sulfamoylamino)heptane

C8H20N2O2S — CID 154426138

IUPAC3-methyl-2-(sulfamoylamino)heptane
SMILESCCCCC(C)C(C)NS(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-5-6-7(2)8(3)10-13(9,11)12/h7-8,10H,4-6H2,1-3H3,(H2,9,11,12)
InChIKeyLQODKRHUNLPKBA-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.99
Rot. Bonds6

About 3-methyl-2-(sulfamoylamino)heptane

3-methyl-2-(sulfamoylamino)heptane (PubChem CID 154426138) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-methyl-2-(sulfamoylamino)heptane.

Molecular Properties

Compound Name3-methyl-2-(sulfamoylamino)heptane
PubChem CID154426138
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name3-methyl-2-(sulfamoylamino)heptane
SMILESCCCCC(C)C(C)NS(N)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-5-6-7(2)8(3)10-13(9,11)12/h7-8,10H,4-6H2,1-3H3,(H2,9,11,12)
InChIKeyLQODKRHUNLPKBA-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(sulfamoylamino)heptane?
The IUPAC name of 3-methyl-2-(sulfamoylamino)heptane (CID 154426138) is 3-methyl-2-(sulfamoylamino)heptane.
What is the SMILES notation for 3-methyl-2-(sulfamoylamino)heptane?
The canonical SMILES for 3-methyl-2-(sulfamoylamino)heptane is CCCCC(C)C(C)NS(N)(=O)=O.
What is the InChIKey of 3-methyl-2-(sulfamoylamino)heptane?
The InChIKey is LQODKRHUNLPKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-5-6-7(2)8(3)10-13(9,11)12/h7-8,10H,4-6H2,1-3H3,(H2,9,11,12).
What are the key properties of 3-methyl-2-(sulfamoylamino)heptane?
3-methyl-2-(sulfamoylamino)heptane has a molecular weight of 208.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(sulfamoylamino)heptane is sourced from PubChem (CID 154426138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).