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

C10H16N2O2S — CID 104643516

IUPAC1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(N)c(SCC(O)CN)c1
InChIInChI=1S/C10H16N2O2S/c1-14-8-2-3-9(12)10(4-8)15-6-7(13)5-11/h2-4,7,13H,5-6,11-12H2,1H3
InChIKeyDVHWWCZMNMUIFI-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.69
Rot. Bonds5

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

1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol (PubChem CID 104643516) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
PubChem CID104643516
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(N)c(SCC(O)CN)c1
InChIInChI=1S/C10H16N2O2S/c1-14-8-2-3-9(12)10(4-8)15-6-7(13)5-11/h2-4,7,13H,5-6,11-12H2,1H3
InChIKeyDVHWWCZMNMUIFI-UHFFFAOYSA-N
XLogP0.69
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.69
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-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517
2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
CID 107703997
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134479
3-(2-amino-5-methoxyphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 79630325
2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81133461
2-(cyclobutylmethylsulfanyl)-4-methoxyaniline
CID 79518188
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 79519175
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
3-(2-amino-5-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 79518648
hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
CID 79511407

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol (CID 104643516) is 1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol is COc1ccc(N)c(SCC(O)CN)c1.
What is the InChIKey of 1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol?
The InChIKey is DVHWWCZMNMUIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-14-8-2-3-9(12)10(4-8)15-6-7(13)5-11/h2-4,7,13H,5-6,11-12H2,1H3.
What are the key properties of 1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol?
1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol has a molecular weight of 228.32 g/mol, XLogP of 0.69, 5 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-methoxyphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 104643516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).