3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine

C11H19N3O2S — CID 54947671

IUPAC3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine
SMILESCC(C)N(C)S(=O)(=O)N(C)c1cccc(N)c1
InChIInChI=1S/C11H19N3O2S/c1-9(2)13(3)17(15,16)14(4)11-7-5-6-10(12)8-11/h5-9H,12H2,1-4H3
InChIKeyBBESPGAGRCVINT-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.29
Rot. Bonds4

About 3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine

3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine (PubChem CID 54947671) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine
PubChem CID54947671
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine
SMILESCC(C)N(C)S(=O)(=O)N(C)c1cccc(N)c1
InChIInChI=1S/C11H19N3O2S/c1-9(2)13(3)17(15,16)14(4)11-7-5-6-10(12)8-11/h5-9H,12H2,1-4H3
InChIKeyBBESPGAGRCVINT-UHFFFAOYSA-N
XLogP1.29
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide
CID 61297692
3-[[[methyl(propan-2-yl)sulfamoyl]-propylamino]methyl]aniline
CID 61455986
N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
CID 61296020
methyl 2-[(3-aminophenyl)-methylsulfamoyl]acetate
CID 54951895
3-N-butan-2-yl-3-N-methylbenzene-1,3-diamine
CID 43272599
3-N-[4-(3-amino-N-methylanilino)phenyl]-3-N-methylbenzene-1,3-diamine
CID 70215054
N-(3-aminophenyl)-4-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 116527243
4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 61455535
1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 107733485
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
CID 103187647
3-N-butan-2-yl-3-N-ethylbenzene-1,3-diamine
CID 43274249
3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine
CID 43613770

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine (CID 54947671) is 3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine is CC(C)N(C)S(=O)(=O)N(C)c1cccc(N)c1.
What is the InChIKey of 3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine?
The InChIKey is BBESPGAGRCVINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(2)13(3)17(15,16)14(4)11-7-5-6-10(12)8-11/h5-9H,12H2,1-4H3.
What are the key properties of 3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine?
3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine has a molecular weight of 257.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine is sourced from PubChem (CID 54947671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).