N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine

C14H24N2O3S — CID 63190455

IUPACN'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)CCCS(C)(=O)=O)c1
InChIInChI=1S/C14H24N2O3S/c1-19-14-7-3-6-13(12-14)16(9-4-8-15)10-5-11-20(2,17)18/h3,6-7,12H,4-5,8-11,15H2,1-2H3
InChIKeyDQIKBYNTTHDCOX-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.29
Rot. Bonds9

About N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine

N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine (PubChem CID 63190455) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
PubChem CID63190455
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)CCCS(C)(=O)=O)c1
InChIInChI=1S/C14H24N2O3S/c1-19-14-7-3-6-13(12-14)16(9-4-8-15)10-5-11-20(2,17)18/h3,6-7,12H,4-5,8-11,15H2,1-2H3
InChIKeyDQIKBYNTTHDCOX-UHFFFAOYSA-N
XLogP1.29
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
3-N-(3-methylsulfonylpropyl)-3-N-propylbenzene-1,3-diamine
CID 55175556
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
CID 114803421
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262673
2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone
CID 43136387
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine
CID 114527323

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine (CID 63190455) is N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine is COc1cccc(N(CCCN)CCCS(C)(=O)=O)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The InChIKey is DQIKBYNTTHDCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-19-14-7-3-6-13(12-14)16(9-4-8-15)10-5-11-20(2,17)18/h3,6-7,12H,4-5,8-11,15H2,1-2H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine has a molecular weight of 300.42 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63190455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).