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

C15H17N3O4S — CID 58751628

IUPAC(2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)N2[C@@H](C(=O)NO)C[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C15H17N3O4S/c16-9-10-4-6-12(7-5-10)23(21,22)18-13-3-1-2-11(13)8-14(18)15(19)17-20/h4-7,11,13-14,20H,1-3,8H2,(H,17,19)/t11-,13-,14-/m1/s1
InChIKeySRTHAELYZRVXJJ-MRVWCRGKSA-N
MW335.39 g/mol
LogP1.00
Rot. Bonds3

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

(2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (PubChem CID 58751628) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is (2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
PubChem CID58751628
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name(2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)N2[C@@H](C(=O)NO)C[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C15H17N3O4S/c16-9-10-4-6-12(7-5-10)23(21,22)18-13-3-1-2-11(13)8-14(18)15(19)17-20/h4-7,11,13-14,20H,1-3,8H2,(H,17,19)/t11-,13-,14-/m1/s1
InChIKeySRTHAELYZRVXJJ-MRVWCRGKSA-N
XLogP1.00
TPSA110.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (CID 58751628) is (2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is N#Cc1ccc(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)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is SRTHAELYZRVXJJ-MRVWCRGKSA-N. The full InChI is InChI=1S/C15H17N3O4S/c16-9-10-4-6-12(7-5-10)23(21,22)18-13-3-1-2-11(13)8-14(18)15(19)17-20/h4-7,11,13-14,20H,1-3,8H2,(H,17,19)/t11-,13-,14-/m1/s1.
What are the key properties of (2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
(2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-1-(4-cyanophenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 58751628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).