(2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol

C6H15NOS — CID 96559412

IUPAC(2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol
SMILESCSCC[C@](C)(O)CN
InChIInChI=1S/C6H15NOS/c1-6(8,5-7)3-4-9-2/h8H,3-5,7H2,1-2H3/t6-/m0/s1
InChIKeyHKODJSHFBDQXRV-LURJTMIESA-N
MW149.26 g/mol
LogP0.45
Rot. Bonds4

About (2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol

(2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol (PubChem CID 96559412) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is (2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol
PubChem CID96559412
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name(2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol
SMILESCSCC[C@](C)(O)CN
InChIInChI=1S/C6H15NOS/c1-6(8,5-7)3-4-9-2/h8H,3-5,7H2,1-2H3/t6-/m0/s1
InChIKeyHKODJSHFBDQXRV-LURJTMIESA-N
XLogP0.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol?
The IUPAC name of (2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol (CID 96559412) is (2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol.
What is the SMILES notation for (2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol?
The canonical SMILES for (2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol is CSCC[C@](C)(O)CN.
What is the InChIKey of (2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol?
The InChIKey is HKODJSHFBDQXRV-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(8,5-7)3-4-9-2/h8H,3-5,7H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol?
(2S)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol has a molecular weight of 149.26 g/mol, XLogP of 0.45, 4 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-4-methylsulfanylbutan-2-ol is sourced from PubChem (CID 96559412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).