2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol

C11H17NOS — CID 117034672

IUPAC2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol
SMILESCC(C)c1ccc(SC(O)CN)cc1
InChIInChI=1S/C11H17NOS/c1-8(2)9-3-5-10(6-4-9)14-11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyFIOFZBFYDGDEGR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.18
Rot. Bonds4

About 2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol

2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol (PubChem CID 117034672) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol
PubChem CID117034672
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol
SMILESCC(C)c1ccc(SC(O)CN)cc1
InChIInChI=1S/C11H17NOS/c1-8(2)9-3-5-10(6-4-9)14-11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyFIOFZBFYDGDEGR-UHFFFAOYSA-N
XLogP2.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 43530351
3-amino-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 117034739
N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylbutanimidamide
CID 54944999
2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
CID 134966659
2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 105425831
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylpentanimidamide
CID 43368988
2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 79412165
2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine
CID 55195921
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine
CID 155376244

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol?
The IUPAC name of 2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol (CID 117034672) is 2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol.
What is the SMILES notation for 2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol?
The canonical SMILES for 2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol is CC(C)c1ccc(SC(O)CN)cc1.
What is the InChIKey of 2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol?
The InChIKey is FIOFZBFYDGDEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(2)9-3-5-10(6-4-9)14-11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol?
2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol has a molecular weight of 211.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol is sourced from PubChem (CID 117034672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).