(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol

C10H15NOS — CID 55270641

IUPAC(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol
SMILESCSc1ccc([C@H](N)[C@H](C)O)cc1
InChIInChI=1S/C10H15NOS/c1-7(12)10(11)8-3-5-9(13-2)6-4-8/h3-7,10,12H,11H2,1-2H3/t7-,10+/m0/s1
InChIKeyDNDREDHRVVFTHL-OIBJUYFYSA-N
MW197.30 g/mol
LogP1.79
Rot. Bonds3

About (1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol

(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol (PubChem CID 55270641) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol
PubChem CID55270641
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol
SMILESCSc1ccc([C@H](N)[C@H](C)O)cc1
InChIInChI=1S/C10H15NOS/c1-7(12)10(11)8-3-5-9(13-2)6-4-8/h3-7,10,12H,11H2,1-2H3/t7-,10+/m0/s1
InChIKeyDNDREDHRVVFTHL-OIBJUYFYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 53484788
(1R)-2-methyl-1-(4-methylsulfanylphenyl)butan-1-amine;hydrochloride
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1-amino-1-(4-sulfanylphenyl)propan-2-ol
CID 55292846
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
ethyl (3S)-3-amino-2-fluoro-3-(4-methylsulfanylphenyl)propanoate;hydrochloride
CID 171250617
(1S,2R)-1-amino-1-(4-methylsulfanylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171270436
(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol (CID 55270641) is (1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol is CSc1ccc([C@H](N)[C@H](C)O)cc1.
What is the InChIKey of (1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol?
The InChIKey is DNDREDHRVVFTHL-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(12)10(11)8-3-5-9(13-2)6-4-8/h3-7,10,12H,11H2,1-2H3/t7-,10+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol?
(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol has a molecular weight of 197.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 55270641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).