1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol

C11H18N2O2S — CID 104643517

IUPAC1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
SMILESCCOc1ccc(N)c(SCC(O)CN)c1
InChIInChI=1S/C11H18N2O2S/c1-2-15-9-3-4-10(13)11(5-9)16-7-8(14)6-12/h3-5,8,14H,2,6-7,12-13H2,1H3
InChIKeyCXFBZGGKOHVYIY-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.08
Rot. Bonds6

About 1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol

1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol (PubChem CID 104643517) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
PubChem CID104643517
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
SMILESCCOc1ccc(N)c(SCC(O)CN)c1
InChIInChI=1S/C11H18N2O2S/c1-2-15-9-3-4-10(13)11(5-9)16-7-8(14)6-12/h3-5,8,14H,2,6-7,12-13H2,1H3
InChIKeyCXFBZGGKOHVYIY-UHFFFAOYSA-N
XLogP1.08
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
CID 104643516
4-ethoxy-2-(3-methylbut-2-enylsulfanyl)aniline
CID 79526787
2-(2-amino-5-ethoxyphenyl)sulfanyl-2-fluoroacetic acid
CID 79512385
2-(2-cyclopropylethylsulfanyl)-4-ethoxyaniline
CID 79527674
2-(2-butoxyethylsulfanyl)-4-ethoxyaniline
CID 79526708
4-ethoxy-2-(3-methylsulfonylpropylsulfanyl)aniline
CID 79526633
4-ethoxy-2-(trifluoromethylsulfanyl)aniline
CID 79526639
2-[(3,4-dimethylphenyl)methylsulfanyl]-4-ethoxyaniline
CID 79526573
4-ethoxy-2-(2,2,2-trifluoroethoxymethylsulfanyl)aniline
CID 106705107
2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone
CID 79526927
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79527004
4-ethoxy-2-[(2-methoxyphenyl)methylsulfanyl]aniline
CID 79518905

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol (CID 104643517) is 1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol is CCOc1ccc(N)c(SCC(O)CN)c1.
What is the InChIKey of 1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol?
The InChIKey is CXFBZGGKOHVYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-15-9-3-4-10(13)11(5-9)16-7-8(14)6-12/h3-5,8,14H,2,6-7,12-13H2,1H3.
What are the key properties of 1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol?
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol has a molecular weight of 242.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 104643517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).