1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one

C10H11IN2OS — CID 168671787

IUPAC1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1c1ccncc1I
InChIInChI=1S/C10H11IN2OS/c11-8-4-12-2-1-9(8)13-5-7(6-15)3-10(13)14/h1-2,4,7,15H,3,5-6H2
InChIKeyJMCZBGAIFGMWHF-UHFFFAOYSA-N
MW334.18 g/mol
LogP1.97
Rot. Bonds2

About 1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one

1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168671787) has the molecular formula C10H11IN2OS and a molecular weight of 334.18 g/mol. Its IUPAC name is 1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168671787
Molecular FormulaC10H11IN2OS
Molecular Weight334.18 g/mol
Exact Mass333.96
IUPAC Name1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1c1ccncc1I
InChIInChI=1S/C10H11IN2OS/c11-8-4-12-2-1-9(8)13-5-7(6-15)3-10(13)14/h1-2,4,7,15H,3,5-6H2
InChIKeyJMCZBGAIFGMWHF-UHFFFAOYSA-N
XLogP1.97
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671786
1-(4-amino-3-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671788
1-isoquinolin-8-yl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671941
4-(bromomethyl)-1-(4-iodo-3-pyridinyl)pyrrolidin-2-one
CID 168505801
1-(4-amino-5-bromo-3-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672242
1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671432
1-pyridazin-4-yl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672252
1-(4-aminopyrimidin-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672251
1-(5-iodo-6-methyl-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670541
1-(4-chloro-5-iodo-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671829
1-(2-chloro-5-iodopyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671819
5-iodo-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168671710

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168671787) is 1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one is O=C1CC(CS)CN1c1ccncc1I.
What is the InChIKey of 1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is JMCZBGAIFGMWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2OS/c11-8-4-12-2-1-9(8)13-5-7(6-15)3-10(13)14/h1-2,4,7,15H,3,5-6H2.
What are the key properties of 1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 334.18 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168671787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).