N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine

C11H19N3O3S — CID 28769805

IUPACN'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(N(CCN)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H19N3O3S/c1-13(2)18(15,16)14(8-7-12)10-5-4-6-11(9-10)17-3/h4-6,9H,7-8,12H2,1-3H3
InChIKeyQMAQLZWEOMPOAZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.27
Rot. Bonds6

About N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine

N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 28769805) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
PubChem CID28769805
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(N(CCN)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H19N3O3S/c1-13(2)18(15,16)14(8-7-12)10-5-4-6-11(9-10)17-3/h4-6,9H,7-8,12H2,1-3H3
InChIKeyQMAQLZWEOMPOAZ-UHFFFAOYSA-N
XLogP0.27
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003
N-ethyl-3-methoxy-N-methylaniline
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CID 63785861

Frequently Asked Questions

What is the IUPAC name of N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine (CID 28769805) is N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine is COc1cccc(N(CCN)S(=O)(=O)N(C)C)c1.
What is the InChIKey of N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is QMAQLZWEOMPOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-13(2)18(15,16)14(8-7-12)10-5-4-6-11(9-10)17-3/h4-6,9H,7-8,12H2,1-3H3.
What are the key properties of N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine?
N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 273.36 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 28769805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).