3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene

C13H22N2O2S — CID 110780927

IUPAC3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(CNS(=O)(=O)N(C)C)c1C
InChIInChI=1S/C13H22N2O2S/c1-9-7-10(2)12(4)13(11(9)3)8-14-18(16,17)15(5)6/h7,14H,8H2,1-6H3
InChIKeyVJSTZSDWMVOIEK-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.82
Rot. Bonds4

About 3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene

3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene (PubChem CID 110780927) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene
PubChem CID110780927
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(CNS(=O)(=O)N(C)C)c1C
InChIInChI=1S/C13H22N2O2S/c1-9-7-10(2)12(4)13(11(9)3)8-14-18(16,17)15(5)6/h7,14H,8H2,1-6H3
InChIKeyVJSTZSDWMVOIEK-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene (CID 110780927) is 3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)c(CNS(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene?
The InChIKey is VJSTZSDWMVOIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9-7-10(2)12(4)13(11(9)3)8-14-18(16,17)15(5)6/h7,14H,8H2,1-6H3.
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene?
3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene has a molecular weight of 270.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 110780927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).