1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one

C17H20N2O2S — CID 144880822

IUPAC1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one
SMILESCC1CCN(S(=O)c2ccc(Cn3ccccc3=O)cc2)C1
InChIInChI=1S/C17H20N2O2S/c1-14-9-11-19(12-14)22(21)16-7-5-15(6-8-16)13-18-10-3-2-4-17(18)20/h2-8,10,14H,9,11-13H2,1H3
InChIKeyIMMMNIWFHVZMHT-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.26
Rot. Bonds4

About 1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one

1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one (PubChem CID 144880822) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one
PubChem CID144880822
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one
SMILESCC1CCN(S(=O)c2ccc(Cn3ccccc3=O)cc2)C1
InChIInChI=1S/C17H20N2O2S/c1-14-9-11-19(12-14)22(21)16-7-5-15(6-8-16)13-18-10-3-2-4-17(18)20/h2-8,10,14H,9,11-13H2,1H3
InChIKeyIMMMNIWFHVZMHT-UHFFFAOYSA-N
XLogP2.26
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 1539823
N-(1-Benzyl-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl)-4-methyl-benzenesulfonamide
CID 3231708
1-[(4-Fluorophenyl)methyl]-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 9507526
Piperidyl 4-(pyrrolidinylsulfonyl)phenyl ketone
CID 799715
(4-((3,5-Dimethylpiperidin-1-yl)sulfonyl)phenyl)(pyrrolidin-1-yl)methanone
CID 4521794
3,5-Dimethyl-1-[4-(1-pyrrolidinylsulfonyl)benzoyl]piperidine
CID 4678176
N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2330678
(2,6-Dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 4654304
1-[1-(4-Fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 16303645
1-[(3-Fluorophenyl)methyl]-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 30996037
1-[(3-Fluorophenyl)methyl]-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 53161836
3-(pyrrolidin-1-ylsulfonyl)-1-(4-vinylbenzyl)pyridin-2(1H)-one
CID 53161833

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one (CID 144880822) is 1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one is CC1CCN(S(=O)c2ccc(Cn3ccccc3=O)cc2)C1.
What is the InChIKey of 1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one?
The InChIKey is IMMMNIWFHVZMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-14-9-11-19(12-14)22(21)16-7-5-15(6-8-16)13-18-10-3-2-4-17(18)20/h2-8,10,14H,9,11-13H2,1H3.
What are the key properties of 1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one?
1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one has a molecular weight of 316.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-methylpyrrolidin-1-yl)sulfinylphenyl]methyl]pyridin-2-one is sourced from PubChem (CID 144880822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).