(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol

C10H15NOS — CID 55276084

IUPAC(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccccc1[C@](C)(N)CO
InChIInChI=1S/C10H15NOS/c1-10(11,7-12)8-5-3-4-6-9(8)13-2/h3-6,12H,7,11H2,1-2H3/t10-/m1/s1
InChIKeyMCTPZSSXEUAUEJ-SNVBAGLBSA-N
MW197.30 g/mol
LogP1.57
Rot. Bonds3

About (2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol

(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol (PubChem CID 55276084) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol
PubChem CID55276084
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccccc1[C@](C)(N)CO
InChIInChI=1S/C10H15NOS/c1-10(11,7-12)8-5-3-4-6-9(8)13-2/h3-6,12H,7,11H2,1-2H3/t10-/m1/s1
InChIKeyMCTPZSSXEUAUEJ-SNVBAGLBSA-N
XLogP1.57
TPSA46.25 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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol (CID 55276084) is (2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol is CSc1ccccc1[C@](C)(N)CO.
What is the InChIKey of (2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol?
The InChIKey is MCTPZSSXEUAUEJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(11,7-12)8-5-3-4-6-9(8)13-2/h3-6,12H,7,11H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol?
(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol has a molecular weight of 197.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 55276084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).