2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine

C14H24N2O2S — CID 79850163

IUPAC2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
SMILESCc1ccc(C(N)C(C)N(C)CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-11-5-7-13(8-6-11)14(15)12(2)16(3)9-10-19(4,17)18/h5-8,12,14H,9-10,15H2,1-4H3
InChIKeyINMQPBHNCCAAKZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.36
Rot. Bonds6

About 2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine

2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine (PubChem CID 79850163) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
PubChem CID79850163
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
SMILESCc1ccc(C(N)C(C)N(C)CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-11-5-7-13(8-6-11)14(15)12(2)16(3)9-10-19(4,17)18/h5-8,12,14H,9-10,15H2,1-4H3
InChIKeyINMQPBHNCCAAKZ-UHFFFAOYSA-N
XLogP1.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-methoxyethyl)-2-N-methyl-1-(4-methylphenyl)propane-1,2-diamine
CID 61426974
1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)propan-1-amine
CID 64647000
3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine
CID 79850078
4-[1-[methyl(2-methylsulfonylethyl)amino]ethyl]aniline
CID 79842388
1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64609842
2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61414435
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341
1-(4-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 43105242
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
1-(4-methylphenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63658656
(2S)-N-tert-butyl-2-(4-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 99856404
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine (CID 79850163) is 2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine is Cc1ccc(C(N)C(C)N(C)CCS(C)(=O)=O)cc1.
What is the InChIKey of 2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine?
The InChIKey is INMQPBHNCCAAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11-5-7-13(8-6-11)14(15)12(2)16(3)9-10-19(4,17)18/h5-8,12,14H,9-10,15H2,1-4H3.
What are the key properties of 2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine?
2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine has a molecular weight of 284.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine is sourced from PubChem (CID 79850163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).