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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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).