(2R)-2-amino-3-benzylsulfanylpropan-1-ol

C10H15NOS — CID 13051960

IUPAC(2R)-2-amino-3-benzylsulfanylpropan-1-ol
SMILESN[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/t10-/m1/s1
InChIKeyAUOITUNWAPLMBM-SNVBAGLBSA-N
MW197.30 g/mol
LogP1.24
Rot. Bonds5

About (2R)-2-amino-3-benzylsulfanylpropan-1-ol

(2R)-2-amino-3-benzylsulfanylpropan-1-ol (PubChem CID 13051960) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (2R)-2-amino-3-benzylsulfanylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-benzylsulfanylpropan-1-ol
PubChem CID13051960
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(2R)-2-amino-3-benzylsulfanylpropan-1-ol
SMILESN[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/t10-/m1/s1
InChIKeyAUOITUNWAPLMBM-SNVBAGLBSA-N
XLogP1.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-benzylsulfanylpropan-1-ol?
The IUPAC name of (2R)-2-amino-3-benzylsulfanylpropan-1-ol (CID 13051960) is (2R)-2-amino-3-benzylsulfanylpropan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-benzylsulfanylpropan-1-ol?
The canonical SMILES for (2R)-2-amino-3-benzylsulfanylpropan-1-ol is N[C@H](CO)CSCc1ccccc1.
What is the InChIKey of (2R)-2-amino-3-benzylsulfanylpropan-1-ol?
The InChIKey is AUOITUNWAPLMBM-SNVBAGLBSA-N. 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/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-benzylsulfanylpropan-1-ol?
(2R)-2-amino-3-benzylsulfanylpropan-1-ol has a molecular weight of 197.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-benzylsulfanylpropan-1-ol is sourced from PubChem (CID 13051960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).