2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol

C10H15NOS — CID 130639898

IUPAC2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol
SMILESCN[C@H](C)c1cc(SC)ccc1O
InChIInChI=1S/C10H15NOS/c1-7(11-2)9-6-8(13-3)4-5-10(9)12/h4-7,11-12H,1-3H3/t7-/m1/s1
InChIKeyXHZYAJZAYKEZFC-SSDOTTSWSA-N
MW197.30 g/mol
LogP2.39
Rot. Bonds3

About 2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol

2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol (PubChem CID 130639898) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol.

Molecular Properties

Compound Name2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol
PubChem CID130639898
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol
SMILESCN[C@H](C)c1cc(SC)ccc1O
InChIInChI=1S/C10H15NOS/c1-7(11-2)9-6-8(13-3)4-5-10(9)12/h4-7,11-12H,1-3H3/t7-/m1/s1
InChIKeyXHZYAJZAYKEZFC-SSDOTTSWSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol?
The IUPAC name of 2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol (CID 130639898) is 2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol.
What is the SMILES notation for 2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol?
The canonical SMILES for 2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol is CN[C@H](C)c1cc(SC)ccc1O.
What is the InChIKey of 2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol?
The InChIKey is XHZYAJZAYKEZFC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(11-2)9-6-8(13-3)4-5-10(9)12/h4-7,11-12H,1-3H3/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol?
2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol has a molecular weight of 197.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(methylamino)ethyl]-4-methylsulfanylphenol is sourced from PubChem (CID 130639898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).