1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol

C12H19NOS — CID 174382488

IUPAC1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol
SMILESCCN(CC(O)CS)c1ccccc1C
InChIInChI=1S/C12H19NOS/c1-3-13(8-11(14)9-15)12-7-5-4-6-10(12)2/h4-7,11,14-15H,3,8-9H2,1-2H3
InChIKeyWLIGNJSVCNJSJD-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.11
Rot. Bonds5

About 1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol

1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol (PubChem CID 174382488) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol
PubChem CID174382488
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol
SMILESCCN(CC(O)CS)c1ccccc1C
InChIInChI=1S/C12H19NOS/c1-3-13(8-11(14)9-15)12-7-5-4-6-10(12)2/h4-7,11,14-15H,3,8-9H2,1-2H3
InChIKeyWLIGNJSVCNJSJD-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(N-ethyl-2-methylanilino)pentan-2-ol
CID 62041707
4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid
CID 82777293
1-(3,4-dimethylphenyl)-2-(N-ethyl-2-methylanilino)ethanol
CID 63473038
CID 173160114
CID 173160114
2-[(N-ethyl-2-methylanilino)methyl]-3,3,3-trifluoropropanethioamide
CID 103368485
3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
CID 82849393
4-(N-ethyl-2-methylanilino)-3-(propylamino)butan-1-ol
CID 64897313
N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 113279380
1-[N-(2-hydroxyethyl)-2-methylanilino]propan-2-ol
CID 14569262
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine
CID 103069098

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol?
The IUPAC name of 1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol (CID 174382488) is 1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol.
What is the SMILES notation for 1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol?
The canonical SMILES for 1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol is CCN(CC(O)CS)c1ccccc1C.
What is the InChIKey of 1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol?
The InChIKey is WLIGNJSVCNJSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-13(8-11(14)9-15)12-7-5-4-6-10(12)2/h4-7,11,14-15H,3,8-9H2,1-2H3.
What are the key properties of 1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol?
1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol has a molecular weight of 225.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol is sourced from PubChem (CID 174382488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).