(2S)-2-amino-3-methylsulfanylpropan-1-ol

C4H11NOS — CID 11263498

IUPAC(2S)-2-amino-3-methylsulfanylpropan-1-ol
SMILESCSC[C@@H](N)CO
InChIInChI=1S/C4H11NOS/c1-7-3-4(5)2-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
InChIKeyAWGBRLHYONGEEL-BYPYZUCNSA-N
MW121.20 g/mol
LogP-0.33
Rot. Bonds3

About (2S)-2-amino-3-methylsulfanylpropan-1-ol

(2S)-2-amino-3-methylsulfanylpropan-1-ol (PubChem CID 11263498) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is (2S)-2-amino-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-methylsulfanylpropan-1-ol
PubChem CID11263498
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name(2S)-2-amino-3-methylsulfanylpropan-1-ol
SMILESCSC[C@@H](N)CO
InChIInChI=1S/C4H11NOS/c1-7-3-4(5)2-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
InChIKeyAWGBRLHYONGEEL-BYPYZUCNSA-N
XLogP-0.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylsulfanylpropan-1-ol?
The IUPAC name of (2S)-2-amino-3-methylsulfanylpropan-1-ol (CID 11263498) is (2S)-2-amino-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-methylsulfanylpropan-1-ol?
The canonical SMILES for (2S)-2-amino-3-methylsulfanylpropan-1-ol is CSC[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-methylsulfanylpropan-1-ol?
The InChIKey is AWGBRLHYONGEEL-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H11NOS/c1-7-3-4(5)2-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-methylsulfanylpropan-1-ol?
(2S)-2-amino-3-methylsulfanylpropan-1-ol has a molecular weight of 121.20 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 11263498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).