1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one

C14H15NO3S — CID 10956801

IUPAC1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one
SMILESCc1ccc(S(=O)(=O)N2CCC3=C2C(=O)CC3)cc1
InChIInChI=1S/C14H15NO3S/c1-10-2-5-12(6-3-10)19(17,18)15-9-8-11-4-7-13(16)14(11)15/h2-3,5-6H,4,7-9H2,1H3
InChIKeyQIWQWWSJIFQBMT-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.01
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one

1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one (PubChem CID 10956801) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one
PubChem CID10956801
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one
SMILESCc1ccc(S(=O)(=O)N2CCC3=C2C(=O)CC3)cc1
InChIInChI=1S/C14H15NO3S/c1-10-2-5-12(6-3-10)19(17,18)15-9-8-11-4-7-13(16)14(11)15/h2-3,5-6H,4,7-9H2,1H3
InChIKeyQIWQWWSJIFQBMT-UHFFFAOYSA-N
XLogP2.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-1-[(4-methylphenyl)sulfonyl]azetidin-3-one
CID 550954
1-(4-Methylbenzenesulfonyl)piperidin-3-one
CID 11010489
4-Methyl-2-(4-methylphenyl)sulfonyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 11022665
(5S)-1-(4-methylphenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one
CID 101583393
2-Tosyl-2,3,3a,4-tetrahydrocyclopenta[c]pyrrol-5(1H)-one
CID 9838502
1-[1-(4-Methylphenyl)sulfonylpyrrolidin-2-yl]ethanone
CID 12643844
(6aR)-4-methyl-2-(4-methylphenyl)sulfonyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 10827437
(6aR)-2-(4-methylphenyl)sulfonyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 10869583
(3R,3aS)-3,6-dimethyl-2-(4-methylphenyl)sulfonyl-1,3,3a,4-tetrahydrocyclopenta[c]pyrrol-5-one
CID 11381199
8-Methyl-2-(4-methylphenyl)sulfonyl-1,3,4,6-tetrahydrocyclopenta[c]azepin-7-one
CID 16069548
(E)-1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]hex-2-en-1-one
CID 16655245
6-Methyl-2-(4-methylphenyl)sulfonyl-3,4,5,8-tetrahydrocyclopenta[c]azepin-7-one
CID 71662632

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one (CID 10956801) is 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one is Cc1ccc(S(=O)(=O)N2CCC3=C2C(=O)CC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one?
The InChIKey is QIWQWWSJIFQBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-2-5-12(6-3-10)19(17,18)15-9-8-11-4-7-13(16)14(11)15/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one?
1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one has a molecular weight of 277.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydrocyclopenta[b]pyrrol-6-one is sourced from PubChem (CID 10956801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).