1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one

C12H14ClN3O4S2 — CID 122162035

IUPAC1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)N2CCc3sc(Cl)cc3C2)C1=O
InChIInChI=1S/C12H14ClN3O4S2/c1-22(19,20)16-5-4-15(12(16)18)11(17)14-3-2-9-8(7-14)6-10(13)21-9/h6H,2-5,7H2,1H3
InChIKeyNIXVGPFGUPKPPR-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.58
Rot. Bonds1

About 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one

1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one (PubChem CID 122162035) has the molecular formula C12H14ClN3O4S2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one
PubChem CID122162035
Molecular FormulaC12H14ClN3O4S2
Molecular Weight363.85 g/mol
Exact Mass363.01
IUPAC Name1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)N2CCc3sc(Cl)cc3C2)C1=O
InChIInChI=1S/C12H14ClN3O4S2/c1-22(19,20)16-5-4-15(12(16)18)11(17)14-3-2-9-8(7-14)6-10(13)21-9/h6H,2-5,7H2,1H3
InChIKeyNIXVGPFGUPKPPR-UHFFFAOYSA-N
XLogP1.58
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one with MolForge

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Related Compounds

1-(2-Chloro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)imidazolidin-2-one
CID 122162031
1-{2-chloro-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}-4-ethylpiperazine-2,3-dione
CID 126851270

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one?
The IUPAC name of 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one (CID 122162035) is 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one.
What is the SMILES notation for 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one?
The canonical SMILES for 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one is CS(=O)(=O)N1CCN(C(=O)N2CCc3sc(Cl)cc3C2)C1=O.
What is the InChIKey of 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one?
The InChIKey is NIXVGPFGUPKPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4S2/c1-22(19,20)16-5-4-15(12(16)18)11(17)14-3-2-9-8(7-14)6-10(13)21-9/h6H,2-5,7H2,1H3.
What are the key properties of 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one?
1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one has a molecular weight of 363.85 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one is sourced from PubChem (CID 122162035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).