N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine

C11H17NO2S — CID 117036341

IUPACN-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine
SMILESCCNCS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C11H17NO2S/c1-4-12-8-15(13,14)11-7-9(2)5-6-10(11)3/h5-7,12H,4,8H2,1-3H3
InChIKeyNRJJHJMMKPUCQP-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.64
Rot. Bonds4

About N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine

N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine (PubChem CID 117036341) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine
PubChem CID117036341
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine
SMILESCCNCS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C11H17NO2S/c1-4-12-8-15(13,14)11-7-9(2)5-6-10(11)3/h5-7,12H,4,8H2,1-3H3
InChIKeyNRJJHJMMKPUCQP-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424557
1-(2,5-dimethylphenyl)sulfonyl-N-ethylbutan-2-amine
CID 64640615
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64641013
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-one
CID 64643299
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine
CID 64640442
3-(2,5-dimethylphenyl)sulfonyl-2,2-dimethylpropan-1-ol
CID 116853098
5-(2,5-dimethylphenyl)sulfonylpentan-1-ol
CID 111104889
4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine
CID 91652487
N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine
CID 117036346
3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64724868

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine (CID 117036341) is N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine is CCNCS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine?
The InChIKey is NRJJHJMMKPUCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-12-8-15(13,14)11-7-9(2)5-6-10(11)3/h5-7,12H,4,8H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine?
N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine is sourced from PubChem (CID 117036341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).