1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid

C19H23NO5S — CID 3075828

IUPAC1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid
SMILESCNC(C)Cc1ccccc1Sc1ccccc1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H21NOS.C2H2O4/c1-13(18-2)12-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19-3;3-1(4)2(5)6/h4-11,13,18H,12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyYPIGSSDUSFFPPT-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.15
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid

1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid (PubChem CID 3075828) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid
PubChem CID3075828
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid
SMILESCNC(C)Cc1ccccc1Sc1ccccc1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H21NOS.C2H2O4/c1-13(18-2)12-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19-3;3-1(4)2(5)6/h4-11,13,18H,12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyYPIGSSDUSFFPPT-UHFFFAOYSA-N
XLogP3.15
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid?
The IUPAC name of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid (CID 3075828) is 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid?
The canonical SMILES for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid is CNC(C)Cc1ccccc1Sc1ccccc1OC.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid?
The InChIKey is YPIGSSDUSFFPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS.C2H2O4/c1-13(18-2)12-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19-3;3-1(4)2(5)6/h4-11,13,18H,12H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid?
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid has a molecular weight of 377.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine;oxalic acid is sourced from PubChem (CID 3075828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).