(2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide

C15H20N2O6S2 — CID 58751643

IUPAC(2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C(=O)NO)C[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C15H20N2O6S2/c1-24(20,21)11-5-7-12(8-6-11)25(22,23)17-13-4-2-3-10(13)9-14(17)15(18)16-19/h5-8,10,13-14,19H,2-4,9H2,1H3,(H,16,18)/t10-,13-,14-/m1/s1
InChIKeyDQGIZCLJJMSJOQ-LERXQTSPSA-N
MW388.47 g/mol
LogP0.53
Rot. Bonds4

About (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide

(2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (PubChem CID 58751643) has the molecular formula C15H20N2O6S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
PubChem CID58751643
Molecular FormulaC15H20N2O6S2
Molecular Weight388.47 g/mol
Exact Mass388.08
IUPAC Name(2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C(=O)NO)C[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C15H20N2O6S2/c1-24(20,21)11-5-7-12(8-6-11)25(22,23)17-13-4-2-3-10(13)9-14(17)15(18)16-19/h5-8,10,13-14,19H,2-4,9H2,1H3,(H,16,18)/t10-,13-,14-/m1/s1
InChIKeyDQGIZCLJJMSJOQ-LERXQTSPSA-N
XLogP0.53
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (CID 58751643) is (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is CS(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C(=O)NO)C[C@H]3CCC[C@H]32)cc1.
What is the InChIKey of (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is DQGIZCLJJMSJOQ-LERXQTSPSA-N. The full InChI is InChI=1S/C15H20N2O6S2/c1-24(20,21)11-5-7-12(8-6-11)25(22,23)17-13-4-2-3-10(13)9-14(17)15(18)16-19/h5-8,10,13-14,19H,2-4,9H2,1H3,(H,16,18)/t10-,13-,14-/m1/s1.
What are the key properties of (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
(2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-N-hydroxy-1-(4-methylsulfonylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 58751643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).