2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine

C15H25NO2S — CID 64639433

IUPAC2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H25NO2S/c1-6-14(16-7-2)13(5)19(17,18)15-9-8-11(3)10-12(15)4/h8-10,13-14,16H,6-7H2,1-5H3
InChIKeyLHMFFOAUUUWLNH-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.85
Rot. Bonds6

About 2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine

2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine (PubChem CID 64639433) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine
PubChem CID64639433
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H25NO2S/c1-6-14(16-7-2)13(5)19(17,18)15-9-8-11(3)10-12(15)4/h8-10,13-14,16H,6-7H2,1-5H3
InChIKeyLHMFFOAUUUWLNH-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645532
1-(diiodomethylsulfonyl)-2,4-dimethylbenzene
CID 21439611
2-(2,4-dimethylphenyl)sulfonyl-3-methylbutan-1-ol
CID 117037707
2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine
CID 64649608
N-ethyl-2-(4-nitrophenyl)sulfonylpentan-3-amine
CID 64645910
N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine
CID 64638612
2-butan-2-ylsulfonyl-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 64644890
N-(1-chlorobutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65033438
1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine
CID 64640615
N-(1-chloro-3-methylbutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 79268006
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 106866902

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine (CID 64639433) is 2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine is CCNC(CC)C(C)S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine?
The InChIKey is LHMFFOAUUUWLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-6-14(16-7-2)13(5)19(17,18)15-9-8-11(3)10-12(15)4/h8-10,13-14,16H,6-7H2,1-5H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine?
2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine has a molecular weight of 283.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine is sourced from PubChem (CID 64639433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).