5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one

C11H16INO3S — CID 106735157

IUPAC5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one
SMILESCc1cc(=O)n(CCS(=O)(=O)C(C)C)cc1I
InChIInChI=1S/C11H16INO3S/c1-8(2)17(15,16)5-4-13-7-10(12)9(3)6-11(13)14/h6-8H,4-5H2,1-3H3
InChIKeyJXPVFVVTPIVPJQ-UHFFFAOYSA-N
MW369.22 g/mol
LogP1.58
Rot. Bonds4

About 5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one

5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one (PubChem CID 106735157) has the molecular formula C11H16INO3S and a molecular weight of 369.22 g/mol. Its IUPAC name is 5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one
PubChem CID106735157
Molecular FormulaC11H16INO3S
Molecular Weight369.22 g/mol
Exact Mass368.99
IUPAC Name5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one
SMILESCc1cc(=O)n(CCS(=O)(=O)C(C)C)cc1I
InChIInChI=1S/C11H16INO3S/c1-8(2)17(15,16)5-4-13-7-10(12)9(3)6-11(13)14/h6-8H,4-5H2,1-3H3
InChIKeyJXPVFVVTPIVPJQ-UHFFFAOYSA-N
XLogP1.58
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one
CID 79784246
3-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyrazole
CID 106735199
1-[(2,6-dichlorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
CID 79784826
5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one
CID 79355429
5-iodo-4-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-2-one
CID 79784921
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-iodo-4-methylpyridin-2-one
CID 79785291
5-iodo-4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 79785574
2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride
CID 106728499
5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one
CID 79784917
1-[(5-bromo-2-fluorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
CID 79784539
4-methyl-2-oxo-1-(3-propan-2-ylsulfonylpropyl)pyridine-3-carbonitrile
CID 75477706
1-[(3-bromo-2,6-difluorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
CID 106270643

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one?
The IUPAC name of 5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one (CID 106735157) is 5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one.
What is the SMILES notation for 5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one?
The canonical SMILES for 5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one is Cc1cc(=O)n(CCS(=O)(=O)C(C)C)cc1I.
What is the InChIKey of 5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one?
The InChIKey is JXPVFVVTPIVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO3S/c1-8(2)17(15,16)5-4-13-7-10(12)9(3)6-11(13)14/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one?
5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one has a molecular weight of 369.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-1-(2-propan-2-ylsulfonylethyl)pyridin-2-one is sourced from PubChem (CID 106735157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).