(2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol

C5H13NOS — CID 95241000

IUPAC(2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSC[C@](C)(O)CN
InChIInChI=1S/C5H13NOS/c1-5(7,3-6)4-8-2/h7H,3-4,6H2,1-2H3/t5-/m1/s1
InChIKeyFAAUGCYOEQBJIZ-RXMQYKEDSA-N
MW135.23 g/mol
LogP0.06
Rot. Bonds3

About (2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol

(2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 95241000) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is (2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID95241000
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name(2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSC[C@](C)(O)CN
InChIInChI=1S/C5H13NOS/c1-5(7,3-6)4-8-2/h7H,3-4,6H2,1-2H3/t5-/m1/s1
InChIKeyFAAUGCYOEQBJIZ-RXMQYKEDSA-N
XLogP0.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of (2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol (CID 95241000) is (2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol is CSC[C@](C)(O)CN.
What is the InChIKey of (2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is FAAUGCYOEQBJIZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NOS/c1-5(7,3-6)4-8-2/h7H,3-4,6H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol?
(2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 135.23 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 95241000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).