7-(dimethylsulfamoylamino)-7-methyltridecane

C16H36N2O2S — CID 130342801

IUPAC7-(dimethylsulfamoylamino)-7-methyltridecane
SMILESCCCCCCC(C)(CCCCCC)NS(=O)(=O)N(C)C
InChIInChI=1S/C16H36N2O2S/c1-6-8-10-12-14-16(3,15-13-11-9-7-2)17-21(19,20)18(4)5/h17H,6-15H2,1-5H3
InChIKeyJNGLIEWJADUGOJ-UHFFFAOYSA-N
MW320.54 g/mol
LogP4.08
Rot. Bonds13

About 7-(dimethylsulfamoylamino)-7-methyltridecane

7-(dimethylsulfamoylamino)-7-methyltridecane (PubChem CID 130342801) has the molecular formula C16H36N2O2S and a molecular weight of 320.54 g/mol. Its IUPAC name is 7-(dimethylsulfamoylamino)-7-methyltridecane.

Molecular Properties

Compound Name7-(dimethylsulfamoylamino)-7-methyltridecane
PubChem CID130342801
Molecular FormulaC16H36N2O2S
Molecular Weight320.54 g/mol
Exact Mass320.25
IUPAC Name7-(dimethylsulfamoylamino)-7-methyltridecane
SMILESCCCCCCC(C)(CCCCCC)NS(=O)(=O)N(C)C
InChIInChI=1S/C16H36N2O2S/c1-6-8-10-12-14-16(3,15-13-11-9-7-2)17-21(19,20)18(4)5/h17H,6-15H2,1-5H3
InChIKeyJNGLIEWJADUGOJ-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(dimethylsulfamoylamino)-7-methyltridecane 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 7-(dimethylsulfamoylamino)-7-methyltridecane?
The IUPAC name of 7-(dimethylsulfamoylamino)-7-methyltridecane (CID 130342801) is 7-(dimethylsulfamoylamino)-7-methyltridecane.
What is the SMILES notation for 7-(dimethylsulfamoylamino)-7-methyltridecane?
The canonical SMILES for 7-(dimethylsulfamoylamino)-7-methyltridecane is CCCCCCC(C)(CCCCCC)NS(=O)(=O)N(C)C.
What is the InChIKey of 7-(dimethylsulfamoylamino)-7-methyltridecane?
The InChIKey is JNGLIEWJADUGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2S/c1-6-8-10-12-14-16(3,15-13-11-9-7-2)17-21(19,20)18(4)5/h17H,6-15H2,1-5H3.
What are the key properties of 7-(dimethylsulfamoylamino)-7-methyltridecane?
7-(dimethylsulfamoylamino)-7-methyltridecane has a molecular weight of 320.54 g/mol, XLogP of 4.08, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylsulfamoylamino)-7-methyltridecane is sourced from PubChem (CID 130342801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).