1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one

C10H14N2O3S — CID 116613725

IUPAC1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one
SMILESCS(=O)(=O)CCCC(=O)c1ncccc1N
InChIInChI=1S/C10H14N2O3S/c1-16(14,15)7-3-5-9(13)10-8(11)4-2-6-12-10/h2,4,6H,3,5,7,11H2,1H3
InChIKeyMWUWNYXRRGNNHZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.67
Rot. Bonds5

About 1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one

1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one (PubChem CID 116613725) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one.

Molecular Properties

Compound Name1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one
PubChem CID116613725
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one
SMILESCS(=O)(=O)CCCC(=O)c1ncccc1N
InChIInChI=1S/C10H14N2O3S/c1-16(14,15)7-3-5-9(13)10-8(11)4-2-6-12-10/h2,4,6H,3,5,7,11H2,1H3
InChIKeyMWUWNYXRRGNNHZ-UHFFFAOYSA-N
XLogP0.67
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-one
CID 62619914
4-methylsulfonyl-1-pyridin-2-ylbutan-1-one
CID 63192067
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-one
CID 105084342
1-(3-amino-2-pyridinyl)pent-4-yn-1-one
CID 116613875
2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939
1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116613745
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone
CID 116613833
3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064
ethyl 3-aminopyridine-2-carboxylate
CID 565054

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one?
The IUPAC name of 1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one (CID 116613725) is 1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one.
What is the SMILES notation for 1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one?
The canonical SMILES for 1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one is CS(=O)(=O)CCCC(=O)c1ncccc1N.
What is the InChIKey of 1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one?
The InChIKey is MWUWNYXRRGNNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-16(14,15)7-3-5-9(13)10-8(11)4-2-6-12-10/h2,4,6H,3,5,7,11H2,1H3.
What are the key properties of 1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one?
1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one has a molecular weight of 242.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one is sourced from PubChem (CID 116613725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).