(E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine

C12H18N2O3S — CID 70609812

IUPAC(E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine
SMILESCN(C)/C(N)=C/S(=O)(=O)CCOc1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-14(2)12(13)10-18(15,16)9-8-17-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3/b12-10+
InChIKeyROOILTNPHVPTCH-ZRDIBKRKSA-N
MW270.35 g/mol
LogP0.80
Rot. Bonds6

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

(E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine (PubChem CID 70609812) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is (E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine
PubChem CID70609812
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine
SMILESCN(C)/C(N)=C/S(=O)(=O)CCOc1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-14(2)12(13)10-18(15,16)9-8-17-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3/b12-10+
InChIKeyROOILTNPHVPTCH-ZRDIBKRKSA-N
XLogP0.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxyethanesulfonamide
CID 54595861
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine
CID 81188680
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
10-phenoxydecane-1-sulfonic acid
CID 58984193
N-methyl-N-(2-phenoxyethyl)formamide
CID 64992361
3-(2-phenoxyethylsulfonyl)butanoic acid
CID 66113224
phenyl 2-[methyl(2-phenoxyethyl)amino]ethanesulfonate
CID 86976759
2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine
CID 81202614
(E)-4-[methyl(2-phenoxyethyl)amino]-4-oxobut-2-enoic acid
CID 54874915
N,N-dimethyl-6-phenoxyhexanamide
CID 142596913
4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid
CID 60953631

Frequently Asked Questions

What is the IUPAC name of (E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine?
The IUPAC name of (E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine (CID 70609812) is (E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine.
What is the SMILES notation for (E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine?
The canonical SMILES for (E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine is CN(C)/C(N)=C/S(=O)(=O)CCOc1ccccc1.
What is the InChIKey of (E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine?
The InChIKey is ROOILTNPHVPTCH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(2)12(13)10-18(15,16)9-8-17-11-6-4-3-5-7-11/h3-7,10H,8-9,13H2,1-2H3/b12-10+.
What are the key properties of (E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine?
(E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine has a molecular weight of 270.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine is sourced from PubChem (CID 70609812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).