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

C13H23N3O2S — CID 61456683

IUPACN'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
SMILESCc1cccc(CN(C)S(=O)(=O)N(C)CCCN)c1
InChIInChI=1S/C13H23N3O2S/c1-12-6-4-7-13(10-12)11-16(3)19(17,18)15(2)9-5-8-14/h4,6-7,10H,5,8-9,11,14H2,1-3H3
InChIKeyNDMNNUATJXQDKF-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.95
Rot. Bonds7

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

N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine (PubChem CID 61456683) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
PubChem CID61456683
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
SMILESCc1cccc(CN(C)S(=O)(=O)N(C)CCCN)c1
InChIInChI=1S/C13H23N3O2S/c1-12-6-4-7-13(10-12)11-16(3)19(17,18)15(2)9-5-8-14/h4,6-7,10H,5,8-9,11,14H2,1-3H3
InChIKeyNDMNNUATJXQDKF-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-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
CID 61456100
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine
CID 54952619
N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 63285263
3-(3-methylphenyl)propan-1-amine
CID 12666388
6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 114613243
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 28770871
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine (CID 61456683) is N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine is Cc1cccc(CN(C)S(=O)(=O)N(C)CCCN)c1.
What is the InChIKey of N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine?
The InChIKey is NDMNNUATJXQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-12-6-4-7-13(10-12)11-16(3)19(17,18)15(2)9-5-8-14/h4,6-7,10H,5,8-9,11,14H2,1-3H3.
What are the key properties of N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine?
N'-methyl-N'-[methyl-[(3-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-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 61456683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).