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

C12H13N3O2S — CID 62112810

IUPAC4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H13N3O2S/c13-11-9-14-7-4-12(11)18(16,17)8-5-10-3-1-2-6-15-10/h1-4,6-7,9H,5,8,13H2
InChIKeyDMUIEGLFUZJBDY-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.08
Rot. Bonds4

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

4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine (PubChem CID 62112810) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine
PubChem CID62112810
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H13N3O2S/c13-11-9-14-7-4-12(11)18(16,17)8-5-10-3-1-2-6-15-10/h1-4,6-7,9H,5,8,13H2
InChIKeyDMUIEGLFUZJBDY-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

4-(2-fluoroethylsulfonyl)pyridin-3-amine
CID 80694965
4-ethoxy-2-(2-pyridin-2-ylethylsulfonyl)aniline
CID 81174676
4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine
CID 28902053
4-nonylsulfonylpyridin-3-amine
CID 55035695
5-[(3-amino-4-pyridinyl)sulfonyl]pentanenitrile
CID 62113641
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine
CID 62112965
N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 55026068
4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine
CID 62111812
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864548

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine?
The IUPAC name of 4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine (CID 62112810) is 4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine?
The canonical SMILES for 4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine is Nc1cnccc1S(=O)(=O)CCc1ccccn1.
What is the InChIKey of 4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine?
The InChIKey is DMUIEGLFUZJBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-11-9-14-7-4-12(11)18(16,17)8-5-10-3-1-2-6-15-10/h1-4,6-7,9H,5,8,13H2.
What are the key properties of 4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine?
4-(2-pyridin-2-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 4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 62112810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).