1-(sulfamoylamino)hexane

C6H16N2O2S — CID 15569630

IUPAC1-(sulfamoylamino)hexane
SMILESCCCCCCNS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-2-3-4-5-6-8-11(7,9)10/h8H,2-6H2,1H3,(H2,7,9,10)
InChIKeyTVXGEUUCQIEWFF-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.36
Rot. Bonds6

About 1-(sulfamoylamino)hexane

1-(sulfamoylamino)hexane (PubChem CID 15569630) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-(sulfamoylamino)hexane.

Molecular Properties

Compound Name1-(sulfamoylamino)hexane
PubChem CID15569630
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name1-(sulfamoylamino)hexane
SMILESCCCCCCNS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-2-3-4-5-6-8-11(7,9)10/h8H,2-6H2,1H3,(H2,7,9,10)
InChIKeyTVXGEUUCQIEWFF-UHFFFAOYSA-N
XLogP0.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfamoylamino)hexane?
The IUPAC name of 1-(sulfamoylamino)hexane (CID 15569630) is 1-(sulfamoylamino)hexane.
What is the SMILES notation for 1-(sulfamoylamino)hexane?
The canonical SMILES for 1-(sulfamoylamino)hexane is CCCCCCNS(N)(=O)=O.
What is the InChIKey of 1-(sulfamoylamino)hexane?
The InChIKey is TVXGEUUCQIEWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-2-3-4-5-6-8-11(7,9)10/h8H,2-6H2,1H3,(H2,7,9,10).
What are the key properties of 1-(sulfamoylamino)hexane?
1-(sulfamoylamino)hexane has a molecular weight of 180.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfamoylamino)hexane is sourced from PubChem (CID 15569630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).