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

C5H13NOS — CID 95241001

IUPAC(2S)-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-/m0/s1
InChIKeyFAAUGCYOEQBJIZ-YFKPBYRVSA-N
MW135.23 g/mol
LogP0.06
Rot. Bonds3

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

(2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 95241001) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is (2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID95241001
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name(2S)-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-/m0/s1
InChIKeyFAAUGCYOEQBJIZ-YFKPBYRVSA-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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Related Compounds

1-Amino-2-methyl-3-(methylsulfanyl)propan-2-ol
CID 54594658
(S)-1-amino-2-methyl-4-(methylthio)-2-butanol
CID 96559412
1-[(2-Aminoethyl)sulfanyl]-2-methylpropan-2-ol
CID 54593816
3-(Aminomethyl)thietan-3-ol
CID 69675989
1-Amino-2-methyl-1-sulfanylpropan-2-ol
CID 145463168
1-Amino-2-methyl-4-(methylthio)butan-2-ol
CID 64386888
1-Amino-3-cyclopentylsulfanyl-2-methylpropan-2-ol
CID 64812152
1-Amino-3-(2-methoxyethylsulfanyl)-2-methylpropan-2-ol
CID 64812376
1-Amino-3-tert-butylsulfanyl-2-methylpropan-2-ol
CID 64812380
1-Amino-4-tert-butylsulfanyl-2-methylbutan-2-ol
CID 64812382
1-Amino-2-methyl-3-propylsulfanylpropan-2-ol
CID 64812592
1-Amino-2-methyl-4-propylsulfanylbutan-2-ol
CID 64812797

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of (2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol (CID 95241001) is (2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol is CSC[C@@](C)(O)CN.
What is the InChIKey of (2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is FAAUGCYOEQBJIZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H13NOS/c1-5(7,3-6)4-8-2/h7H,3-4,6H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol?
(2S)-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 (2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 95241001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).