1-(dimethylsulfamoylamino)-3,3-dimethylbutane

C8H20N2O2S — CID 89148999

IUPAC1-(dimethylsulfamoylamino)-3,3-dimethylbutane
SMILESCN(C)S(=O)(=O)NCCC(C)(C)C
InChIInChI=1S/C8H20N2O2S/c1-8(2,3)6-7-9-13(11,12)10(4)5/h9H,6-7H2,1-5H3
InChIKeyHRIBDFYRYXIANG-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.82
Rot. Bonds4

About 1-(dimethylsulfamoylamino)-3,3-dimethylbutane

1-(dimethylsulfamoylamino)-3,3-dimethylbutane (PubChem CID 89148999) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-3,3-dimethylbutane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-3,3-dimethylbutane
PubChem CID89148999
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name1-(dimethylsulfamoylamino)-3,3-dimethylbutane
SMILESCN(C)S(=O)(=O)NCCC(C)(C)C
InChIInChI=1S/C8H20N2O2S/c1-8(2,3)6-7-9-13(11,12)10(4)5/h9H,6-7H2,1-5H3
InChIKeyHRIBDFYRYXIANG-UHFFFAOYSA-N
XLogP0.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-3,3-dimethylbutane?
The IUPAC name of 1-(dimethylsulfamoylamino)-3,3-dimethylbutane (CID 89148999) is 1-(dimethylsulfamoylamino)-3,3-dimethylbutane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-3,3-dimethylbutane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-3,3-dimethylbutane is CN(C)S(=O)(=O)NCCC(C)(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-3,3-dimethylbutane?
The InChIKey is HRIBDFYRYXIANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-8(2,3)6-7-9-13(11,12)10(4)5/h9H,6-7H2,1-5H3.
What are the key properties of 1-(dimethylsulfamoylamino)-3,3-dimethylbutane?
1-(dimethylsulfamoylamino)-3,3-dimethylbutane has a molecular weight of 208.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-3,3-dimethylbutane is sourced from PubChem (CID 89148999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).