[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone

C18H23ClN2O3S — CID 120657499

IUPAC[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone
SMILESO=C(N1C[C@H]2CNC[C@H]2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H23ClN2O3S/c19-15-3-5-16(6-4-15)25(23,24)18(7-1-2-8-18)17(22)21-11-13-9-20-10-14(13)12-21/h3-6,13-14,20H,1-2,7-12H2/t13-,14+
InChIKeyIUHZFNITHGQTLK-OKILXGFUSA-N
MW382.91 g/mol
LogP2.10
Rot. Bonds3

About [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone (PubChem CID 120657499) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone.

Molecular Properties

Compound Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone
PubChem CID120657499
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone
SMILESO=C(N1C[C@H]2CNC[C@H]2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H23ClN2O3S/c19-15-3-5-16(6-4-15)25(23,24)18(7-1-2-8-18)17(22)21-11-13-9-20-10-14(13)12-21/h3-6,13-14,20H,1-2,7-12H2/t13-,14+
InChIKeyIUHZFNITHGQTLK-OKILXGFUSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone with MolForge

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Related Compounds

[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 51277317
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 120655672
(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone;hydrochloride
CID 119377853
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 120657064
1-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257303
[1-(4-chlorophenyl)sulfonylcyclopentyl]-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 124965144
1-[4-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 55456430
1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
CID 119460551
2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide
CID 55455984
[1-(4-chlorophenyl)sulfonylcyclopentyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112810518
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone?
The IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone (CID 120657499) is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone.
What is the SMILES notation for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone?
The canonical SMILES for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone is O=C(N1C[C@H]2CNC[C@H]2C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone?
The InChIKey is IUHZFNITHGQTLK-OKILXGFUSA-N. The full InChI is InChI=1S/C18H23ClN2O3S/c19-15-3-5-16(6-4-15)25(23,24)18(7-1-2-8-18)17(22)21-11-13-9-20-10-14(13)12-21/h3-6,13-14,20H,1-2,7-12H2/t13-,14+.
What are the key properties of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone?
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone has a molecular weight of 382.91 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone is sourced from PubChem (CID 120657499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).