1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine

C11H18N2O2S — CID 81189280

IUPAC1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)Cc1cccnc1OC
InChIInChI=1S/C11H18N2O2S/c1-3-10(12)8-16(14)7-9-5-4-6-13-11(9)15-2/h4-6,10H,3,7-8,12H2,1-2H3
InChIKeyGZKSRFVPIFXORJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.08
Rot. Bonds6

About 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine

1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine (PubChem CID 81189280) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine
PubChem CID81189280
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)Cc1cccnc1OC
InChIInChI=1S/C11H18N2O2S/c1-3-10(12)8-16(14)7-9-5-4-6-13-11(9)15-2/h4-6,10H,3,7-8,12H2,1-2H3
InChIKeyGZKSRFVPIFXORJ-UHFFFAOYSA-N
XLogP1.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine (CID 81189280) is 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine is CCC(N)CS(=O)Cc1cccnc1OC.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine?
The InChIKey is GZKSRFVPIFXORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-10(12)8-16(14)7-9-5-4-6-13-11(9)15-2/h4-6,10H,3,7-8,12H2,1-2H3.
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine?
1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine has a molecular weight of 242.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine is sourced from PubChem (CID 81189280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).