2-(sulfamoylamino)hexane

C6H16N2O2S — CID 87088431

IUPAC2-(sulfamoylamino)hexane
SMILESCCCCC(C)NS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-4-5-6(2)8-11(7,9)10/h6,8H,3-5H2,1-2H3,(H2,7,9,10)
InChIKeyRSBALTANVFFSEW-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.36
Rot. Bonds5

About 2-(sulfamoylamino)hexane

2-(sulfamoylamino)hexane (PubChem CID 87088431) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-(sulfamoylamino)hexane.

Molecular Properties

Compound Name2-(sulfamoylamino)hexane
PubChem CID87088431
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name2-(sulfamoylamino)hexane
SMILESCCCCC(C)NS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-4-5-6(2)8-11(7,9)10/h6,8H,3-5H2,1-2H3,(H2,7,9,10)
InChIKeyRSBALTANVFFSEW-UHFFFAOYSA-N
XLogP0.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(sulfamoylamino)hexane?
The IUPAC name of 2-(sulfamoylamino)hexane (CID 87088431) is 2-(sulfamoylamino)hexane.
What is the SMILES notation for 2-(sulfamoylamino)hexane?
The canonical SMILES for 2-(sulfamoylamino)hexane is CCCCC(C)NS(N)(=O)=O.
What is the InChIKey of 2-(sulfamoylamino)hexane?
The InChIKey is RSBALTANVFFSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-3-4-5-6(2)8-11(7,9)10/h6,8H,3-5H2,1-2H3,(H2,7,9,10).
What are the key properties of 2-(sulfamoylamino)hexane?
2-(sulfamoylamino)hexane has a molecular weight of 180.27 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfamoylamino)hexane is sourced from PubChem (CID 87088431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).