2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one

C12H17N3O3S — CID 62113460

IUPAC2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)S(=O)(=O)c1ccncc1N
InChIInChI=1S/C12H17N3O3S/c1-9(12(16)15-6-2-3-7-15)19(17,18)11-4-5-14-8-10(11)13/h4-5,8-9H,2-3,6-7,13H2,1H3
InChIKeyNOIOSFUKKAJDFS-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.45
Rot. Bonds3

About 2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one

2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 62113460) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID62113460
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)S(=O)(=O)c1ccncc1N
InChIInChI=1S/C12H17N3O3S/c1-9(12(16)15-6-2-3-7-15)19(17,18)11-4-5-14-8-10(11)13/h4-5,8-9H,2-3,6-7,13H2,1H3
InChIKeyNOIOSFUKKAJDFS-UHFFFAOYSA-N
XLogP0.45
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81183690
2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81201309
2-(4-aminophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 61369164
2-[(3-amino-4-pyridinyl)sulfonyl]-N-phenylpropanamide
CID 62113291
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfonylbenzoic acid
CID 43117031
2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 61367612
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
CID 81185324
2-[(3-amino-4-pyridinyl)sulfonyl]-1-morpholin-4-ylethanone
CID 62113459
2-[(3-amino-4-pyridinyl)sulfanyl]-1-(azocan-1-yl)ethanone
CID 43299913
(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 105071136
2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 62113298
(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one
CID 94149675

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one (CID 62113460) is 2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)S(=O)(=O)c1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NOIOSFUKKAJDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9(12(16)15-6-2-3-7-15)19(17,18)11-4-5-14-8-10(11)13/h4-5,8-9H,2-3,6-7,13H2,1H3.
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one?
2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 283.35 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 62113460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).