5-methyl-1-(sulfamoylamino)hexane

C7H18N2O2S — CID 112692643

IUPAC5-methyl-1-(sulfamoylamino)hexane
SMILESCC(C)CCCCNS(N)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2)5-3-4-6-9-12(8,10)11/h7,9H,3-6H2,1-2H3,(H2,8,10,11)
InChIKeyUYMJYFXTMDLBDO-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.61
Rot. Bonds6

About 5-methyl-1-(sulfamoylamino)hexane

5-methyl-1-(sulfamoylamino)hexane (PubChem CID 112692643) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 5-methyl-1-(sulfamoylamino)hexane.

Molecular Properties

Compound Name5-methyl-1-(sulfamoylamino)hexane
PubChem CID112692643
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name5-methyl-1-(sulfamoylamino)hexane
SMILESCC(C)CCCCNS(N)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2)5-3-4-6-9-12(8,10)11/h7,9H,3-6H2,1-2H3,(H2,8,10,11)
InChIKeyUYMJYFXTMDLBDO-UHFFFAOYSA-N
XLogP0.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-1-(sulfamoylamino)hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(sulfamoylamino)hexane?
The IUPAC name of 5-methyl-1-(sulfamoylamino)hexane (CID 112692643) is 5-methyl-1-(sulfamoylamino)hexane.
What is the SMILES notation for 5-methyl-1-(sulfamoylamino)hexane?
The canonical SMILES for 5-methyl-1-(sulfamoylamino)hexane is CC(C)CCCCNS(N)(=O)=O.
What is the InChIKey of 5-methyl-1-(sulfamoylamino)hexane?
The InChIKey is UYMJYFXTMDLBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2)5-3-4-6-9-12(8,10)11/h7,9H,3-6H2,1-2H3,(H2,8,10,11).
What are the key properties of 5-methyl-1-(sulfamoylamino)hexane?
5-methyl-1-(sulfamoylamino)hexane has a molecular weight of 194.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(sulfamoylamino)hexane is sourced from PubChem (CID 112692643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).