1-(dimethylsulfamoylamino)-5-methylhexane

C9H22N2O2S — CID 110672096

IUPAC1-(dimethylsulfamoylamino)-5-methylhexane
SMILESCC(C)CCCCNS(=O)(=O)N(C)C
InChIInChI=1S/C9H22N2O2S/c1-9(2)7-5-6-8-10-14(12,13)11(3)4/h9-10H,5-8H2,1-4H3
InChIKeyXXKJTVRPXGVNAA-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.21
Rot. Bonds7

About 1-(dimethylsulfamoylamino)-5-methylhexane

1-(dimethylsulfamoylamino)-5-methylhexane (PubChem CID 110672096) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-5-methylhexane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-5-methylhexane
PubChem CID110672096
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name1-(dimethylsulfamoylamino)-5-methylhexane
SMILESCC(C)CCCCNS(=O)(=O)N(C)C
InChIInChI=1S/C9H22N2O2S/c1-9(2)7-5-6-8-10-14(12,13)11(3)4/h9-10H,5-8H2,1-4H3
InChIKeyXXKJTVRPXGVNAA-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.21
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 1-(dimethylsulfamoylamino)-5-methylhexane?
The IUPAC name of 1-(dimethylsulfamoylamino)-5-methylhexane (CID 110672096) is 1-(dimethylsulfamoylamino)-5-methylhexane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-5-methylhexane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-5-methylhexane is CC(C)CCCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-5-methylhexane?
The InChIKey is XXKJTVRPXGVNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-9(2)7-5-6-8-10-14(12,13)11(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(dimethylsulfamoylamino)-5-methylhexane?
1-(dimethylsulfamoylamino)-5-methylhexane has a molecular weight of 222.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-5-methylhexane is sourced from PubChem (CID 110672096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).