2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine

C11H17NO3S — CID 95456204

IUPAC2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C11H17NO3S/c1-9-8-10(4-5-11(9)15-3)16(13,14)7-6-12-2/h4-5,8,12H,6-7H2,1-3H3
InChIKeyADMYPEKUQBUKGQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.00
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine

2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine (PubChem CID 95456204) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine
PubChem CID95456204
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C11H17NO3S/c1-9-8-10(4-5-11(9)15-3)16(13,14)7-6-12-2/h4-5,8,12H,6-7H2,1-3H3
InChIKeyADMYPEKUQBUKGQ-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 64640024
2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine
CID 116853368
4-(4-methoxy-3-methylphenyl)sulfonylbutan-2-amine
CID 117036279
N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine
CID 117036349
3-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-1-amine
CID 117036247
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine
CID 64675325
4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101166
4-(4-methoxybutylsulfonyl)-1,2-dimethylbenzene
CID 56793096
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine (CID 95456204) is 2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine is CNCCS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine?
The InChIKey is ADMYPEKUQBUKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-8-10(4-5-11(9)15-3)16(13,14)7-6-12-2/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine?
2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine has a molecular weight of 243.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine is sourced from PubChem (CID 95456204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).