1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one

C11H14N2O2S — CID 168670249

IUPAC1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCOc1ccnc(N2CC(CS)CC2=O)c1
InChIInChI=1S/C11H14N2O2S/c1-15-9-2-3-12-10(5-9)13-6-8(7-16)4-11(13)14/h2-3,5,8,16H,4,6-7H2,1H3
InChIKeyDIFJEUHIDWNHPS-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.37
Rot. Bonds3

About 1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one

1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168670249) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168670249
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCOc1ccnc(N2CC(CS)CC2=O)c1
InChIInChI=1S/C11H14N2O2S/c1-15-9-2-3-12-10(5-9)13-6-8(7-16)4-11(13)14/h2-3,5,8,16H,4,6-7H2,1H3
InChIKeyDIFJEUHIDWNHPS-UHFFFAOYSA-N
XLogP1.37
TPSA42.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[1-(4-methoxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675758
1-(4-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670171
1-(2-methoxy-3-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670282
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664302
1-(4-chloro-5-iodo-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671829
1-(4,5-dimethoxy-2-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670353
1-(4-bromo-2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670131
1-(6-chloro-5-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670229
1-pyridazin-4-yl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672252
1-(6-chloropyridazin-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671631
1-(5-bromo-6-methyl-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670538

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168670249) is 1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one is COc1ccnc(N2CC(CS)CC2=O)c1.
What is the InChIKey of 1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is DIFJEUHIDWNHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-15-9-2-3-12-10(5-9)13-6-8(7-16)4-11(13)14/h2-3,5,8,16H,4,6-7H2,1H3.
What are the key properties of 1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 238.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168670249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).