N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine

C14H24N2O2S — CID 62591786

IUPACN'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-10-15-11-12-16(3)13-6-8-14(9-7-13)19(17,18)5-2/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyVSEFJKHVDAIYQF-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.92
Rot. Bonds8

About N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine

N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 62591786) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine
PubChem CID62591786
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-10-15-11-12-16(3)13-6-8-14(9-7-13)19(17,18)5-2/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyVSEFJKHVDAIYQF-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.92
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'-(4-ethylsulfonylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 62592463
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
4-(4-ethylsulfonyl-N-methylanilino)butan-2-one
CID 115235556
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360
N-ethyl-N'-methyl-N'-[4-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62586005
4-(4-ethylsulfonyl-N-methylanilino)butanoic acid
CID 43453320
1-(4-ethylsulfonyl-N-methylanilino)propan-2-one
CID 115234607
N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 62593739
N'-(4-fluorophenyl)-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62555231
N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62574258
N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 62434751
1-(4-ethylsulfonyl-N-methylanilino)-3-methoxypropan-2-ol
CID 54999146

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine (CID 62591786) is N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)c1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is VSEFJKHVDAIYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-10-15-11-12-16(3)13-6-8-14(9-7-13)19(17,18)5-2/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine?
N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 284.43 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylsulfonylphenyl)-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 62591786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).