3-amino-4-methoxy-2-methylsulfanylbutan-1-ol

C6H15NO2S — CID 114370505

IUPAC3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
SMILESCOCC(N)C(CO)SC
InChIInChI=1S/C6H15NO2S/c1-9-4-5(7)6(3-8)10-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyACIQBZYTJHXJAE-UHFFFAOYSA-N
MW165.26 g/mol
LogP-0.32
Rot. Bonds5

About 3-amino-4-methoxy-2-methylsulfanylbutan-1-ol

3-amino-4-methoxy-2-methylsulfanylbutan-1-ol (PubChem CID 114370505) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
PubChem CID114370505
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
SMILESCOCC(N)C(CO)SC
InChIInChI=1S/C6H15NO2S/c1-9-4-5(7)6(3-8)10-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyACIQBZYTJHXJAE-UHFFFAOYSA-N
XLogP-0.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-methylsulfanylbutan-1-ol (CID 114370505) is 3-amino-4-methoxy-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-methylsulfanylbutan-1-ol is COCC(N)C(CO)SC.
What is the InChIKey of 3-amino-4-methoxy-2-methylsulfanylbutan-1-ol?
The InChIKey is ACIQBZYTJHXJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-9-4-5(7)6(3-8)10-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-2-methylsulfanylbutan-1-ol?
3-amino-4-methoxy-2-methylsulfanylbutan-1-ol has a molecular weight of 165.26 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 114370505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).