(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine

C6H15NOS — CID 104889147

IUPAC(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
SMILESCOCCSC[C@@H](C)N
InChIInChI=1S/C6H15NOS/c1-6(7)5-9-4-3-8-2/h6H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKeyVJDGYOXOEGKBNZ-ZCFIWIBFSA-N
MW149.26 g/mol
LogP0.71
Rot. Bonds5

About (2R)-1-(2-methoxyethylsulfanyl)propan-2-amine

(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine (PubChem CID 104889147) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is (2R)-1-(2-methoxyethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
PubChem CID104889147
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
SMILESCOCCSC[C@@H](C)N
InChIInChI=1S/C6H15NOS/c1-6(7)5-9-4-3-8-2/h6H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKeyVJDGYOXOEGKBNZ-ZCFIWIBFSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methoxyethylsulfanyl)propan-2-amine?
The IUPAC name of (2R)-1-(2-methoxyethylsulfanyl)propan-2-amine (CID 104889147) is (2R)-1-(2-methoxyethylsulfanyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2-methoxyethylsulfanyl)propan-2-amine?
The canonical SMILES for (2R)-1-(2-methoxyethylsulfanyl)propan-2-amine is COCCSC[C@@H](C)N.
What is the InChIKey of (2R)-1-(2-methoxyethylsulfanyl)propan-2-amine?
The InChIKey is VJDGYOXOEGKBNZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(7)5-9-4-3-8-2/h6H,3-5,7H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1-(2-methoxyethylsulfanyl)propan-2-amine?
(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine has a molecular weight of 149.26 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methoxyethylsulfanyl)propan-2-amine is sourced from PubChem (CID 104889147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).