2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine

C11H11N3OS — CID 61369062

IUPAC2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)Cc1cccnc1
InChIInChI=1S/C11H11N3OS/c12-10-4-2-6-14-11(10)16(15)8-9-3-1-5-13-7-9/h1-7H,8,12H2
InChIKeyOARAAPRTPYRFJI-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.37
Rot. Bonds3

About 2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine

2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine (PubChem CID 61369062) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
PubChem CID61369062
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)Cc1cccnc1
InChIInChI=1S/C11H11N3OS/c12-10-4-2-6-14-11(10)16(15)8-9-3-1-5-13-7-9/h1-7H,8,12H2
InChIKeyOARAAPRTPYRFJI-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

4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
CID 62111987
2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine
CID 61368096
2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine
CID 61369423
2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 61369413
5-bromo-2-(pyridin-3-ylmethylsulfinyl)aniline
CID 81184377
3,5-difluoro-4-(pyridin-3-ylmethylsulfinyl)aniline
CID 61369616
pyridin-3-ylmethanesulfinyl chloride
CID 143860188
2-(3-phenoxypropylsulfinyl)pyridin-3-amine
CID 62937847
3-[(3-amino-2-pyridinyl)sulfinylmethyl]-4-fluorobenzonitrile
CID 61369050
2-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
CID 54961277
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
4-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 62113305

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine?
The IUPAC name of 2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine (CID 61369062) is 2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine?
The canonical SMILES for 2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine is Nc1cccnc1S(=O)Cc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine?
The InChIKey is OARAAPRTPYRFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-10-4-2-6-14-11(10)16(15)8-9-3-1-5-13-7-9/h1-7H,8,12H2.
What are the key properties of 2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine?
2-(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 2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 61369062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).