1-(dimethylsulfamoylamino)hexane

C8H20N2O2S — CID 3637328

IUPAC1-(dimethylsulfamoylamino)hexane
SMILESCCCCCCNS(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O2S/c1-4-5-6-7-8-9-13(11,12)10(2)3/h9H,4-8H2,1-3H3
InChIKeyGSRHERZMENEGBG-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.96
Rot. Bonds7

About 1-(dimethylsulfamoylamino)hexane

1-(dimethylsulfamoylamino)hexane (PubChem CID 3637328) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)hexane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)hexane
PubChem CID3637328
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name1-(dimethylsulfamoylamino)hexane
SMILESCCCCCCNS(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O2S/c1-4-5-6-7-8-9-13(11,12)10(2)3/h9H,4-8H2,1-3H3
InChIKeyGSRHERZMENEGBG-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.96
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)hexane?
The IUPAC name of 1-(dimethylsulfamoylamino)hexane (CID 3637328) is 1-(dimethylsulfamoylamino)hexane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)hexane?
The canonical SMILES for 1-(dimethylsulfamoylamino)hexane is CCCCCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)hexane?
The InChIKey is GSRHERZMENEGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-5-6-7-8-9-13(11,12)10(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)hexane?
1-(dimethylsulfamoylamino)hexane has a molecular weight of 208.33 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)hexane is sourced from PubChem (CID 3637328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).