N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine

C13H23N3O2S — CID 61456100

IUPACN'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
SMILESCc1ccc(CN(C)S(=O)(=O)N(C)CCCN)cc1
InChIInChI=1S/C13H23N3O2S/c1-12-5-7-13(8-6-12)11-16(3)19(17,18)15(2)10-4-9-14/h5-8H,4,9-11,14H2,1-3H3
InChIKeyGWDCQVMZHYAWGQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.95
Rot. Bonds7

About N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine

N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine (PubChem CID 61456100) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
PubChem CID61456100
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
SMILESCc1ccc(CN(C)S(=O)(=O)N(C)CCCN)cc1
InChIInChI=1S/C13H23N3O2S/c1-12-5-7-13(8-6-12)11-16(3)19(17,18)15(2)10-4-9-14/h5-8H,4,9-11,14H2,1-3H3
InChIKeyGWDCQVMZHYAWGQ-UHFFFAOYSA-N
XLogP0.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
CID 61456683
1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 43132046
N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine
CID 54952619
1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 114958571
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 28544654
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 43318680
N'-but-3-ynyl-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 141230822
4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43256596
2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 79463095
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
CID 54952240
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide
CID 61418218

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine (CID 61456100) is N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine is Cc1ccc(CN(C)S(=O)(=O)N(C)CCCN)cc1.
What is the InChIKey of N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine?
The InChIKey is GWDCQVMZHYAWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-12-5-7-13(8-6-12)11-16(3)19(17,18)15(2)10-4-9-14/h5-8H,4,9-11,14H2,1-3H3.
What are the key properties of N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine?
N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine has a molecular weight of 285.41 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 61456100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).