(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine

C17H21NO5S — CID 9167758

IUPAC(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine
SMILESCOc1ccc(S(=O)(=O)[C@H](CN)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H21NO5S/c1-21-13-5-7-14(8-6-13)24(19,20)17(11-18)12-4-9-15(22-2)16(10-12)23-3/h4-10,17H,11,18H2,1-3H3/t17-/m1/s1
InChIKeyZUUDQCVNLSXCKX-QGZVFWFLSA-N
MW351.42 g/mol
LogP2.19
Rot. Bonds7

About (2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine

(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine (PubChem CID 9167758) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine
PubChem CID9167758
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine
SMILESCOc1ccc(S(=O)(=O)[C@H](CN)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H21NO5S/c1-21-13-5-7-14(8-6-13)24(19,20)17(11-18)12-4-9-15(22-2)16(10-12)23-3/h4-10,17H,11,18H2,1-3H3/t17-/m1/s1
InChIKeyZUUDQCVNLSXCKX-QGZVFWFLSA-N
XLogP2.19
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 9167712
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 9168217
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 9168137
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9167931
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708
2-amino-1-(3,4-dimethoxyphenyl)sulfonylethanol
CID 117037392
[(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167955
[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167644

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine?
The IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine (CID 9167758) is (2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine.
What is the SMILES notation for (2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine?
The canonical SMILES for (2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine is COc1ccc(S(=O)(=O)[C@H](CN)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine?
The InChIKey is ZUUDQCVNLSXCKX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-21-13-5-7-14(8-6-13)24(19,20)17(11-18)12-4-9-15(22-2)16(10-12)23-3/h4-10,17H,11,18H2,1-3H3/t17-/m1/s1.
What are the key properties of (2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine?
(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine has a molecular weight of 351.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine is sourced from PubChem (CID 9167758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).