1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol

C11H17NO2S — CID 63928358

IUPAC1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol
SMILESCOCC(O)CNc1cccc(SC)c1
InChIInChI=1S/C11H17NO2S/c1-14-8-10(13)7-12-9-4-3-5-11(6-9)15-2/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyWTLKPVBFQTZENP-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.83
Rot. Bonds6

About 1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol

1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol (PubChem CID 63928358) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol
PubChem CID63928358
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol
SMILESCOCC(O)CNc1cccc(SC)c1
InChIInChI=1S/C11H17NO2S/c1-14-8-10(13)7-12-9-4-3-5-11(6-9)15-2/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyWTLKPVBFQTZENP-UHFFFAOYSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816
3-(3-methylsulfanylanilino)propane-1,2-diol
CID 76891537
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
1-methoxy-3-(4-methylsulfanylanilino)propan-2-ol
CID 63931302
N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
CID 62534680
N-(2-ethylbutyl)-3-methylsulfanylaniline
CID 29289769
1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 106989080
1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
CID 55025056
methyl 2-acetamido-3-(3-methylsulfanylanilino)propanoate
CID 103231474
1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol
CID 60898393
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol?
The IUPAC name of 1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol (CID 63928358) is 1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol is COCC(O)CNc1cccc(SC)c1.
What is the InChIKey of 1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol?
The InChIKey is WTLKPVBFQTZENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-14-8-10(13)7-12-9-4-3-5-11(6-9)15-2/h3-6,10,12-13H,7-8H2,1-2H3.
What are the key properties of 1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol?
1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol is sourced from PubChem (CID 63928358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).