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

C10H15NOS — CID 66112702

IUPAC3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol
SMILESCc1ccc(N)cc1SCCCO
InChIInChI=1S/C10H15NOS/c1-8-3-4-9(11)7-10(8)13-6-2-5-12/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyXPLJZHNZOOWYPI-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.05
Rot. Bonds4

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

3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol (PubChem CID 66112702) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol
PubChem CID66112702
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol
SMILESCc1ccc(N)cc1SCCCO
InChIInChI=1S/C10H15NOS/c1-8-3-4-9(11)7-10(8)13-6-2-5-12/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyXPLJZHNZOOWYPI-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-amino-2-methylphenyl)sulfanylethoxy]ethanol
CID 79140895
3-(3-methoxypropylsulfanyl)-4-methylaniline
CID 63857550
3-(4-methoxybutylsulfanyl)-4-methylaniline
CID 104647868
3-(4-amino-2-chlorophenyl)sulfanylpropan-1-ol
CID 43305115
4-(5-amino-2-methylphenyl)sulfanyl-N,N-diethylbutanamide
CID 79141696
3-(5-amino-2-methylphenyl)sulfanyl-N-methylpropanamide
CID 79140974
3-(2-bromoprop-2-enylsulfanyl)-4-methylaniline
CID 79140779
methyl 5-amino-2-(3-hydroxypropylsulfanyl)benzoate
CID 66129162
5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide
CID 103287957
4-methyl-3-(2,2,2-trifluoroethylsulfanyl)aniline
CID 79141260
3-[(3,5-dimethylphenyl)methylsulfanyl]-4-methylaniline
CID 79141939
5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol
CID 62229037

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol?
The IUPAC name of 3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol (CID 66112702) is 3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol is Cc1ccc(N)cc1SCCCO.
What is the InChIKey of 3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol?
The InChIKey is XPLJZHNZOOWYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8-3-4-9(11)7-10(8)13-6-2-5-12/h3-4,7,12H,2,5-6,11H2,1H3.
What are the key properties of 3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol?
3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol has a molecular weight of 197.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 66112702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).