1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene

C13H19N3O2S — CID 35309891

IUPAC1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene
SMILESCc1ccccc1CCNS(=O)(=O)N(C)CCC#N
InChIInChI=1S/C13H19N3O2S/c1-12-6-3-4-7-13(12)8-10-15-19(17,18)16(2)11-5-9-14/h3-4,6-7,15H,5,8,10-11H2,1-2H3
InChIKeyYODUPLXNDPWOMX-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.22
Rot. Bonds7

About 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene

1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene (PubChem CID 35309891) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene
PubChem CID35309891
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene
SMILESCc1ccccc1CCNS(=O)(=O)N(C)CCC#N
InChIInChI=1S/C13H19N3O2S/c1-12-6-3-4-7-13(12)8-10-15-19(17,18)16(2)11-5-9-14/h3-4,6-7,15H,5,8,10-11H2,1-2H3
InChIKeyYODUPLXNDPWOMX-UHFFFAOYSA-N
XLogP1.22
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[methyl-[(2-methylphenyl)methyl]sulfamoyl]amino]propanenitrile
CID 134060157
1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-2-phenoxybenzene
CID 86864079
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
CID 54952251
4-[methyl-[2-(2-methylphenyl)ethyl]amino]butanenitrile
CID 115232074
1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-3-methoxybenzene
CID 47164741
1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-ethoxypropane
CID 134043652
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747
N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide
CID 64692485
1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440
1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene
CID 134035733
1-[1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]cyclopentyl]-2-methoxybenzene
CID 47070253

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene?
The IUPAC name of 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene (CID 35309891) is 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene.
What is the SMILES notation for 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene?
The canonical SMILES for 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene is Cc1ccccc1CCNS(=O)(=O)N(C)CCC#N.
What is the InChIKey of 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene?
The InChIKey is YODUPLXNDPWOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-12-6-3-4-7-13(12)8-10-15-19(17,18)16(2)11-5-9-14/h3-4,6-7,15H,5,8,10-11H2,1-2H3.
What are the key properties of 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene?
1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene has a molecular weight of 281.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene is sourced from PubChem (CID 35309891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).