4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine

C11H11N3OS — CID 62111987

IUPAC4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)Cc1cccnc1
InChIInChI=1S/C11H11N3OS/c12-10-7-14-5-3-11(10)16(15)8-9-2-1-4-13-6-9/h1-7H,8,12H2
InChIKeyUPVGKQDFWGDLLV-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.37
Rot. Bonds3

About 4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine

4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine (PubChem CID 62111987) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
PubChem CID62111987
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)Cc1cccnc1
InChIInChI=1S/C11H11N3OS/c12-10-7-14-5-3-11(10)16(15)8-9-2-1-4-13-6-9/h1-7H,8,12H2
InChIKeyUPVGKQDFWGDLLV-UHFFFAOYSA-N
XLogP1.37
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(pyridin-3-ylmethylsulfinyl)aniline
CID 81184377
4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine
CID 102878475
4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 62113305
2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
CID 61369062
3,5-difluoro-4-(pyridin-3-ylmethylsulfinyl)aniline
CID 61369616
4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine
CID 62113991
5-[(3-amino-4-pyridinyl)sulfinylmethyl]-2-fluorobenzonitrile
CID 107885897
pyridin-3-ylmethanesulfinyl chloride
CID 143860188
4-fluoro-3-(pyridin-3-ylmethylsulfinyl)benzoic acid
CID 80558243
4-(2,2-difluoro-2-phenylethyl)sulfinylpyridin-3-amine
CID 116790308
4-(2-propoxyethylsulfinyl)pyridin-3-amine
CID 106455875
4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
CID 62112145

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine?
The IUPAC name of 4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine (CID 62111987) is 4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine?
The canonical SMILES for 4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine is Nc1cnccc1S(=O)Cc1cccnc1.
What is the InChIKey of 4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine?
The InChIKey is UPVGKQDFWGDLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-10-7-14-5-3-11(10)16(15)8-9-2-1-4-13-6-9/h1-7H,8,12H2.
What are the key properties of 4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine?
4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine has a molecular weight of 233.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 62111987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).