[(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium

C10H16NOS+ — CID 40516919

IUPAC[(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium
SMILES[NH3+][C@H](CO)CSCc1ccccc1
InChIInChI=1S/C10H15NOS/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/p+1/t10-/m1/s1
InChIKeyAUOITUNWAPLMBM-SNVBAGLBSA-O
MW198.31 g/mol
LogP0.52
Rot. Bonds5

About [(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium

[(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium (PubChem CID 40516919) has the molecular formula C10H16NOS+ and a molecular weight of 198.31 g/mol. Its IUPAC name is [(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium
PubChem CID40516919
Molecular FormulaC10H16NOS+
Molecular Weight198.31 g/mol
Exact Mass198.09
IUPAC Name[(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium
SMILES[NH3+][C@H](CO)CSCc1ccccc1
InChIInChI=1S/C10H15NOS/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/p+1/t10-/m1/s1
InChIKeyAUOITUNWAPLMBM-SNVBAGLBSA-O
XLogP0.52
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium?
The IUPAC name of [(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium (CID 40516919) is [(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium?
The canonical SMILES for [(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium is [NH3+][C@H](CO)CSCc1ccccc1.
What is the InChIKey of [(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium?
The InChIKey is AUOITUNWAPLMBM-SNVBAGLBSA-O. The full InChI is InChI=1S/C10H15NOS/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/p+1/t10-/m1/s1.
What are the key properties of [(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium?
[(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium has a molecular weight of 198.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]azanium is sourced from PubChem (CID 40516919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).