1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine

C11H16N2O2S — CID 70609984

IUPAC1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine
SMILESCc1ccc(S(=O)(=O)C=C(N)N(C)C)cc1
InChIInChI=1S/C11H16N2O2S/c1-9-4-6-10(7-5-9)16(14,15)8-11(12)13(2)3/h4-8H,12H2,1-3H3
InChIKeySSEBZBFCDHOPTC-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.09
Rot. Bonds3

About 1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine

1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine (PubChem CID 70609984) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine
PubChem CID70609984
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine
SMILESCc1ccc(S(=O)(=O)C=C(N)N(C)C)cc1
InChIInChI=1S/C11H16N2O2S/c1-9-4-6-10(7-5-9)16(14,15)8-11(12)13(2)3/h4-8H,12H2,1-3H3
InChIKeySSEBZBFCDHOPTC-UHFFFAOYSA-N
XLogP1.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine?
The IUPAC name of 1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine (CID 70609984) is 1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine?
The canonical SMILES for 1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine is Cc1ccc(S(=O)(=O)C=C(N)N(C)C)cc1.
What is the InChIKey of 1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine?
The InChIKey is SSEBZBFCDHOPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-4-6-10(7-5-9)16(14,15)8-11(12)13(2)3/h4-8H,12H2,1-3H3.
What are the key properties of 1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine?
1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine has a molecular weight of 240.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine is sourced from PubChem (CID 70609984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).