1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone

C11H13NO3S — CID 82388287

IUPAC1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone
SMILESCC(=O)c1nc(S(C)(=O)=O)cc2c1CCC2
InChIInChI=1S/C11H13NO3S/c1-7(13)11-9-5-3-4-8(9)6-10(12-11)16(2,14)15/h6H,3-5H2,1-2H3
InChIKeyGNVXFPYVCQBEDP-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.18
Rot. Bonds2

About 1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone

1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone (PubChem CID 82388287) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone
PubChem CID82388287
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone
SMILESCC(=O)c1nc(S(C)(=O)=O)cc2c1CCC2
InChIInChI=1S/C11H13NO3S/c1-7(13)11-9-5-3-4-8(9)6-10(12-11)16(2,14)15/h6H,3-5H2,1-2H3
InChIKeyGNVXFPYVCQBEDP-UHFFFAOYSA-N
XLogP1.18
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetyl-2,3-dihydro-1H-indene-5-sulfonic acid
CID 22003063
1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone
CID 71729794
1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 58928828
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
2,3-dimethyl-5,6,7,8-tetrahydronaphthalene-1-sulfonic acid
CID 131861922
2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 3080455
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-4-yl)sulfonylurea
CID 137403435
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514
1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone
CID 82417563
1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanone
CID 84689437
1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone
CID 158462154

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone?
The IUPAC name of 1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone (CID 82388287) is 1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone is CC(=O)c1nc(S(C)(=O)=O)cc2c1CCC2.
What is the InChIKey of 1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone?
The InChIKey is GNVXFPYVCQBEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-7(13)11-9-5-3-4-8(9)6-10(12-11)16(2,14)15/h6H,3-5H2,1-2H3.
What are the key properties of 1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone?
1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone has a molecular weight of 239.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)ethanone is sourced from PubChem (CID 82388287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).