2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine

C16H19NO3S — CID 62917727

IUPAC2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(CS(=O)(=O)c1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C16H19NO3S/c1-17-16(13-7-6-8-14(11-13)20-2)12-21(18,19)15-9-4-3-5-10-15/h3-11,16-17H,12H2,1-2H3
InChIKeyGUKPBOCYBHDVNK-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.43
Rot. Bonds6

About 2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine

2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 62917727) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID62917727
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(CS(=O)(=O)c1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C16H19NO3S/c1-17-16(13-7-6-8-14(11-13)20-2)12-21(18,19)15-9-4-3-5-10-15/h3-11,16-17H,12H2,1-2H3
InChIKeyGUKPBOCYBHDVNK-UHFFFAOYSA-N
XLogP2.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
CID 107758622
3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine
CID 64699404
2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64675202
2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64640001
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
CID 62606227
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
3-(3-methoxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 54891056
N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759066
2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64674939

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine (CID 62917727) is 2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine is CNC(CS(=O)(=O)c1ccccc1)c1cccc(OC)c1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is GUKPBOCYBHDVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-17-16(13-7-6-8-14(11-13)20-2)12-21(18,19)15-9-4-3-5-10-15/h3-11,16-17H,12H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine?
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 305.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 62917727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).