N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine

C14H24N2O2S — CID 62593739

IUPACN'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)11-15-9-10-16(3)13-5-7-14(8-6-13)19(4,17)18/h5-8,12,15H,9-11H2,1-4H3
InChIKeySLNJTOMRRSMRBO-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.77
Rot. Bonds7

About N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine

N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine (PubChem CID 62593739) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine
PubChem CID62593739
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)11-15-9-10-16(3)13-5-7-14(8-6-13)19(4,17)18/h5-8,12,15H,9-11H2,1-4H3
InChIKeySLNJTOMRRSMRBO-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine
CID 62593206
N'-methyl-N-(2-methylpropyl)-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 62593915
2-methyl-N-[2-(4-methylsulfonylphenyl)sulfanylethyl]propan-1-amine
CID 63238895
2-[6-(N-methyl-4-methylsulfonylanilino)hexylamino]ethanol
CID 70258694
N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62591786
N-ethyl-N'-methyl-N'-[4-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62586005
2-methyl-3-(N-methyl-4-methylsulfonylanilino)propanoic acid
CID 55007680
N'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 62592463
N'-(4-fluorophenyl)-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62555231
2-(N-methyl-4-methylsulfonylanilino)acetonitrile
CID 115130886
N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62585681
N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62574258

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine (CID 62593739) is N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine is CC(C)CNCCN(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The InChIKey is SLNJTOMRRSMRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(2)11-15-9-10-16(3)13-5-7-14(8-6-13)19(4,17)18/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine?
N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine has a molecular weight of 284.43 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62593739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).