2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine

C12H13N3O2S — CID 61366697

IUPAC2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H13N3O2S/c13-11-2-1-6-15-12(11)18(16,17)9-5-10-3-7-14-8-4-10/h1-4,6-8H,5,9,13H2
InChIKeyVBLOVOYIOKTQMP-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine

2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine (PubChem CID 61366697) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine
PubChem CID61366697
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H13N3O2S/c13-11-2-1-6-15-12(11)18(16,17)9-5-10-3-7-14-8-4-10/h1-4,6-8H,5,9,13H2
InChIKeyVBLOVOYIOKTQMP-UHFFFAOYSA-N
XLogP1.08
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine
CID 61481273
2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine
CID 106728941
3-chloro-2-(2-phenylethylsulfonyl)pyridine
CID 166181690
2-(4-methoxybutylsulfonyl)pyridin-3-amine
CID 104648972
2-(thiophen-3-ylmethylsulfonyl)pyridin-3-amine
CID 61369370
1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one
CID 82907799
3,5-difluoro-4-(2-pyridin-4-ylethylsulfonyl)aniline
CID 61367659
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
3-amino-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-sulfonamide
CID 103304997
2-[(2-methyltetrazol-5-yl)methylsulfonyl]pyridin-3-amine
CID 107052242
N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 60892670
N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 114052143

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine?
The IUPAC name of 2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine (CID 61366697) is 2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine.
What is the SMILES notation for 2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine?
The canonical SMILES for 2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine is Nc1cccnc1S(=O)(=O)CCc1ccncc1.
What is the InChIKey of 2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine?
The InChIKey is VBLOVOYIOKTQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-11-2-1-6-15-12(11)18(16,17)9-5-10-3-7-14-8-4-10/h1-4,6-8H,5,9,13H2.
What are the key properties of 2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine?
2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine has a molecular weight of 263.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 61366697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).