1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one

C12H13N3O3S — CID 82907799

IUPAC1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one
SMILESNc1cccnc1S(=O)(=O)CCn1ccccc1=O
InChIInChI=1S/C12H13N3O3S/c13-10-4-3-6-14-12(10)19(17,18)9-8-15-7-2-1-5-11(15)16/h1-7H,8-9,13H2
InChIKeySYPQOFKLFMMIHR-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.30
Rot. Bonds4

About 1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one

1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one (PubChem CID 82907799) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one
PubChem CID82907799
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one
SMILESNc1cccnc1S(=O)(=O)CCn1ccccc1=O
InChIInChI=1S/C12H13N3O3S/c13-10-4-3-6-14-12(10)19(17,18)9-8-15-7-2-1-5-11(15)16/h1-7H,8-9,13H2
InChIKeySYPQOFKLFMMIHR-UHFFFAOYSA-N
XLogP0.30
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one (CID 82907799) is 1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one is Nc1cccnc1S(=O)(=O)CCn1ccccc1=O.
What is the InChIKey of 1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one?
The InChIKey is SYPQOFKLFMMIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c13-10-4-3-6-14-12(10)19(17,18)9-8-15-7-2-1-5-11(15)16/h1-7H,8-9,13H2.
What are the key properties of 1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one?
1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one has a molecular weight of 279.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one is sourced from PubChem (CID 82907799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).