2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine

C11H18N2O2S — CID 65035671

IUPAC2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
SMILESCC(CN)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O2S/c1-9(7-12)8-13-10-3-5-11(6-4-10)16(2,14)15/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyKZRVGPVUUWOKPY-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.10
Rot. Bonds5

About 2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine

2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine (PubChem CID 65035671) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
PubChem CID65035671
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
SMILESCC(CN)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O2S/c1-9(7-12)8-13-10-3-5-11(6-4-10)16(2,14)15/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyKZRVGPVUUWOKPY-UHFFFAOYSA-N
XLogP1.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylaniline
CID 63966797
2-ethyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 115251246
4-methyl-5-(4-methylsulfonylanilino)pentanoic acid
CID 82682615
N'-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 115198290
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282613
2-ethyl-1-N-(4-methylsulfonylphenyl)butane-1,2-diamine
CID 113283230
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide
CID 107441669
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylsulfonylaniline
CID 113313747
4-methyl-3-N-(4-methylsulfonylphenyl)pentane-1,3-diamine
CID 114178237
4-(difluoromethylsulfonyl)-N-(2-methylbutyl)aniline
CID 43683861

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine (CID 65035671) is 2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine is CC(CN)CNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine?
The InChIKey is KZRVGPVUUWOKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(7-12)8-13-10-3-5-11(6-4-10)16(2,14)15/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of 2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine?
2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine has a molecular weight of 242.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine is sourced from PubChem (CID 65035671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).