1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one

C14H19N3OS — CID 91602124

IUPAC1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one
SMILESCSc1ccc(N2CCC(N3CCCC3=O)C2)nc1
InChIInChI=1S/C14H19N3OS/c1-19-12-4-5-13(15-9-12)16-8-6-11(10-16)17-7-2-3-14(17)18/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyUSWJTVFQJKACCV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one

1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one (PubChem CID 91602124) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one
PubChem CID91602124
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one
SMILESCSc1ccc(N2CCC(N3CCCC3=O)C2)nc1
InChIInChI=1S/C14H19N3OS/c1-19-12-4-5-13(15-9-12)16-8-6-11(10-16)17-7-2-3-14(17)18/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyUSWJTVFQJKACCV-UHFFFAOYSA-N
XLogP2.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one (CID 91602124) is 1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one is CSc1ccc(N2CCC(N3CCCC3=O)C2)nc1.
What is the InChIKey of 1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one?
The InChIKey is USWJTVFQJKACCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-19-12-4-5-13(15-9-12)16-8-6-11(10-16)17-7-2-3-14(17)18/h4-5,9,11H,2-3,6-8,10H2,1H3.
What are the key properties of 1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one?
1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one has a molecular weight of 277.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylsulfanyl-2-pyridinyl)pyrrolidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 91602124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).