[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium

C5H14NOS+ — CID 6994412

IUPAC[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium
SMILESCSCC[C@H]([NH3+])CO
InChIInChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/p+1/t5-/m0/s1
InChIKeyMIQJGZAEWQQAPN-YFKPBYRVSA-O
MW136.24 g/mol
LogP-0.66
Rot. Bonds4

About [(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium

[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium (PubChem CID 6994412) has the molecular formula C5H14NOS+ and a molecular weight of 136.24 g/mol. Its IUPAC name is [(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium
PubChem CID6994412
Molecular FormulaC5H14NOS+
Molecular Weight136.24 g/mol
Exact Mass136.08
IUPAC Name[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium
SMILESCSCC[C@H]([NH3+])CO
InChIInChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/p+1/t5-/m0/s1
InChIKeyMIQJGZAEWQQAPN-YFKPBYRVSA-O
XLogP-0.66
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium?
The IUPAC name of [(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium (CID 6994412) is [(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium?
The canonical SMILES for [(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium is CSCC[C@H]([NH3+])CO.
What is the InChIKey of [(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium?
The InChIKey is MIQJGZAEWQQAPN-YFKPBYRVSA-O. The full InChI is InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/p+1/t5-/m0/s1.
What are the key properties of [(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium?
[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium has a molecular weight of 136.24 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]azanium is sourced from PubChem (CID 6994412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).