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

C10H16N2O2S — CID 81188848

IUPAC1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine
SMILESCOc1ncccc1CS(=O)CC(C)N
InChIInChI=1S/C10H16N2O2S/c1-8(11)6-15(13)7-9-4-3-5-12-10(9)14-2/h3-5,8H,6-7,11H2,1-2H3
InChIKeyXJRVVXUZVGASEE-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.69
Rot. Bonds5

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

1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine (PubChem CID 81188848) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine
PubChem CID81188848
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine
SMILESCOc1ncccc1CS(=O)CC(C)N
InChIInChI=1S/C10H16N2O2S/c1-8(11)6-15(13)7-9-4-3-5-12-10(9)14-2/h3-5,8H,6-7,11H2,1-2H3
InChIKeyXJRVVXUZVGASEE-UHFFFAOYSA-N
XLogP0.69
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxy-3-pyridinyl)methylsulfinyl]butan-2-amine
CID 81189280
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
O-[2-(2-methoxy-3-pyridinyl)ethyl]hydroxylamine
CID 70307544
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
3-(2-methoxy-3-pyridinyl)propan-1-amine
CID 55266989
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
N'-[1-(2-methoxy-3-pyridinyl)propan-2-yl]ethane-1,2-diamine
CID 67241279
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine
CID 82714723
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine (CID 81188848) is 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine is COc1ncccc1CS(=O)CC(C)N.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine?
The InChIKey is XJRVVXUZVGASEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(11)6-15(13)7-9-4-3-5-12-10(9)14-2/h3-5,8H,6-7,11H2,1-2H3.
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine?
1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine has a molecular weight of 228.32 g/mol, XLogP of 0.69, 5 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]propan-2-amine is sourced from PubChem (CID 81188848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).