(E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine

C5H12N2O2S — CID 21311546

IUPAC(E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine
SMILESCN(C)/C(N)=C/S(C)(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-7(2)5(6)4-10(3,8)9/h4H,6H2,1-3H3/b5-4+
InChIKeyUNCXVAKXNDEJAZ-SNAWJCMRSA-N
MW164.23 g/mol
LogP-0.65
Rot. Bonds2

About (E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine

(E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine (PubChem CID 21311546) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is (E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine
PubChem CID21311546
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name(E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine
SMILESCN(C)/C(N)=C/S(C)(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-7(2)5(6)4-10(3,8)9/h4H,6H2,1-3H3/b5-4+
InChIKeyUNCXVAKXNDEJAZ-SNAWJCMRSA-N
XLogP-0.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine?
The IUPAC name of (E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine (CID 21311546) is (E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine.
What is the SMILES notation for (E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine?
The canonical SMILES for (E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine is CN(C)/C(N)=C/S(C)(=O)=O.
What is the InChIKey of (E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine?
The InChIKey is UNCXVAKXNDEJAZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-7(2)5(6)4-10(3,8)9/h4H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine?
(E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine has a molecular weight of 164.23 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N',1-N'-dimethyl-2-methylsulfonylethene-1,1-diamine is sourced from PubChem (CID 21311546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).