4-(sulfamoylamino)cyclohexene

C6H12N2O2S — CID 112692285

IUPAC4-(sulfamoylamino)cyclohexene
SMILESNS(=O)(=O)NC1CC=CCC1
InChIInChI=1S/C6H12N2O2S/c7-11(9,10)8-6-4-2-1-3-5-6/h1-2,6,8H,3-5H2,(H2,7,9,10)
InChIKeyMZDKNSFGXVKKJW-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.11
Rot. Bonds2

About 4-(sulfamoylamino)cyclohexene

4-(sulfamoylamino)cyclohexene (PubChem CID 112692285) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-(sulfamoylamino)cyclohexene.

Molecular Properties

Compound Name4-(sulfamoylamino)cyclohexene
PubChem CID112692285
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name4-(sulfamoylamino)cyclohexene
SMILESNS(=O)(=O)NC1CC=CCC1
InChIInChI=1S/C6H12N2O2S/c7-11(9,10)8-6-4-2-1-3-5-6/h1-2,6,8H,3-5H2,(H2,7,9,10)
InChIKeyMZDKNSFGXVKKJW-UHFFFAOYSA-N
XLogP-0.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(sulfamoylamino)cyclohexene?
The IUPAC name of 4-(sulfamoylamino)cyclohexene (CID 112692285) is 4-(sulfamoylamino)cyclohexene.
What is the SMILES notation for 4-(sulfamoylamino)cyclohexene?
The canonical SMILES for 4-(sulfamoylamino)cyclohexene is NS(=O)(=O)NC1CC=CCC1.
What is the InChIKey of 4-(sulfamoylamino)cyclohexene?
The InChIKey is MZDKNSFGXVKKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c7-11(9,10)8-6-4-2-1-3-5-6/h1-2,6,8H,3-5H2,(H2,7,9,10).
What are the key properties of 4-(sulfamoylamino)cyclohexene?
4-(sulfamoylamino)cyclohexene has a molecular weight of 176.24 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfamoylamino)cyclohexene is sourced from PubChem (CID 112692285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).