5-(dimethylsulfamoylamino)-5-methyldodecane

C15H34N2O2S — CID 130356012

IUPAC5-(dimethylsulfamoylamino)-5-methyldodecane
SMILESCCCCCCCC(C)(CCCC)NS(=O)(=O)N(C)C
InChIInChI=1S/C15H34N2O2S/c1-6-8-10-11-12-14-15(3,13-9-7-2)16-20(18,19)17(4)5/h16H,6-14H2,1-5H3
InChIKeyPZYDLNBORPIAOG-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.69
Rot. Bonds12

About 5-(dimethylsulfamoylamino)-5-methyldodecane

5-(dimethylsulfamoylamino)-5-methyldodecane (PubChem CID 130356012) has the molecular formula C15H34N2O2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 5-(dimethylsulfamoylamino)-5-methyldodecane.

Molecular Properties

Compound Name5-(dimethylsulfamoylamino)-5-methyldodecane
PubChem CID130356012
Molecular FormulaC15H34N2O2S
Molecular Weight306.52 g/mol
Exact Mass306.23
IUPAC Name5-(dimethylsulfamoylamino)-5-methyldodecane
SMILESCCCCCCCC(C)(CCCC)NS(=O)(=O)N(C)C
InChIInChI=1S/C15H34N2O2S/c1-6-8-10-11-12-14-15(3,13-9-7-2)16-20(18,19)17(4)5/h16H,6-14H2,1-5H3
InChIKeyPZYDLNBORPIAOG-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
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 5-(dimethylsulfamoylamino)-5-methyldodecane?
The IUPAC name of 5-(dimethylsulfamoylamino)-5-methyldodecane (CID 130356012) is 5-(dimethylsulfamoylamino)-5-methyldodecane.
What is the SMILES notation for 5-(dimethylsulfamoylamino)-5-methyldodecane?
The canonical SMILES for 5-(dimethylsulfamoylamino)-5-methyldodecane is CCCCCCCC(C)(CCCC)NS(=O)(=O)N(C)C.
What is the InChIKey of 5-(dimethylsulfamoylamino)-5-methyldodecane?
The InChIKey is PZYDLNBORPIAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2S/c1-6-8-10-11-12-14-15(3,13-9-7-2)16-20(18,19)17(4)5/h16H,6-14H2,1-5H3.
What are the key properties of 5-(dimethylsulfamoylamino)-5-methyldodecane?
5-(dimethylsulfamoylamino)-5-methyldodecane has a molecular weight of 306.52 g/mol, XLogP of 3.69, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoylamino)-5-methyldodecane is sourced from PubChem (CID 130356012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).