N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine

C11H17NO3S — CID 117036349

IUPACN-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine
SMILESCCNCS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C11H17NO3S/c1-4-12-8-16(13,14)10-5-6-11(15-3)9(2)7-10/h5-7,12H,4,8H2,1-3H3
InChIKeySEDRJXDFRBTSFN-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.34
Rot. Bonds5

About N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine

N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine (PubChem CID 117036349) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine
PubChem CID117036349
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine
SMILESCCNCS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C11H17NO3S/c1-4-12-8-16(13,14)10-5-6-11(15-3)9(2)7-10/h5-7,12H,4,8H2,1-3H3
InChIKeySEDRJXDFRBTSFN-UHFFFAOYSA-N
XLogP1.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine
CID 95456204
4-(4-methoxy-3-methylphenyl)sulfonylbutan-2-amine
CID 117036279
4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 37478612
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine
CID 117036355
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine (CID 117036349) is N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine is CCNCS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine?
The InChIKey is SEDRJXDFRBTSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-4-12-8-16(13,14)10-5-6-11(15-3)9(2)7-10/h5-7,12H,4,8H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine?
N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine has a molecular weight of 243.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine is sourced from PubChem (CID 117036349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).