(2R)-1-methoxy-3-phenylsulfanylpropan-2-amine

C10H15NOS — CID 88972306

IUPAC(2R)-1-methoxy-3-phenylsulfanylpropan-2-amine
SMILESCOC[C@@H](N)CSc1ccccc1
InChIInChI=1S/C10H15NOS/c1-12-7-9(11)8-13-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/t9-/m1/s1
InChIKeyYMDVZJSVZLOBTA-SECBINFHSA-N
MW197.30 g/mol
LogP1.75
Rot. Bonds5

About (2R)-1-methoxy-3-phenylsulfanylpropan-2-amine

(2R)-1-methoxy-3-phenylsulfanylpropan-2-amine (PubChem CID 88972306) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (2R)-1-methoxy-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-methoxy-3-phenylsulfanylpropan-2-amine
PubChem CID88972306
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(2R)-1-methoxy-3-phenylsulfanylpropan-2-amine
SMILESCOC[C@@H](N)CSc1ccccc1
InChIInChI=1S/C10H15NOS/c1-12-7-9(11)8-13-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/t9-/m1/s1
InChIKeyYMDVZJSVZLOBTA-SECBINFHSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-3-phenylsulfanylpropan-2-amine?
The IUPAC name of (2R)-1-methoxy-3-phenylsulfanylpropan-2-amine (CID 88972306) is (2R)-1-methoxy-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for (2R)-1-methoxy-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for (2R)-1-methoxy-3-phenylsulfanylpropan-2-amine is COC[C@@H](N)CSc1ccccc1.
What is the InChIKey of (2R)-1-methoxy-3-phenylsulfanylpropan-2-amine?
The InChIKey is YMDVZJSVZLOBTA-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NOS/c1-12-7-9(11)8-13-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-methoxy-3-phenylsulfanylpropan-2-amine?
(2R)-1-methoxy-3-phenylsulfanylpropan-2-amine has a molecular weight of 197.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 88972306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).