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

C16H20N2O4S — CID 91413479

IUPAC(2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C16H20N2O4S/c19-16(17-20)15-11-13-7-4-8-14(13)18(15)23(21,22)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-15,20H,4,7-8,11H2,(H,17,19)/t13-,14-,15-/m1/s1
InChIKeyLKMHTQRWTLMTOW-RBSFLKMASA-N
MW336.41 g/mol
LogP1.74
Rot. Bonds4

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

(2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (PubChem CID 91413479) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is (2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
PubChem CID91413479
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name(2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C16H20N2O4S/c19-16(17-20)15-11-13-7-4-8-14(13)18(15)23(21,22)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-15,20H,4,7-8,11H2,(H,17,19)/t13-,14-,15-/m1/s1
InChIKeyLKMHTQRWTLMTOW-RBSFLKMASA-N
XLogP1.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Hydroxy-1-[(2-Phenylethyl)sulfonyl]-D-Prolinamide
CID 57339412
(2R)-N-hydroxy-1-[2-(4-phenylphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
CID 71817097
(2R,3aR,6aR)-5-benzylsulfonyl-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97457990
(2R,3aR,6aR)-N-hydroxy-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 58751630
N-hydroxy-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 72412467
(3R,3aS,6aR)-2-[(2-fluoro-4-methylphenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 129353361
(3S,3aR,6aR)-2-[(2-fluoro-4-methylphenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 129353362
(3R,3aR,6aR)-2-[(2-fluoro-4-methylphenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 129353363
(3S,3aS,6aR)-2-[(2-fluoro-4-methylphenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 129353364
2-[(2-fluoro-4-methylphenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 137832999
N-hydroxy-1,1-dioxo-2-(2-phenylethyl)-1,2-thiazolidine-3-carboxamide
CID 9857036
(2R,3aR,6aR)-N-hydroxy-1-(4-iodophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 10071671

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (CID 91413479) is (2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-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-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is O=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of (2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is LKMHTQRWTLMTOW-RBSFLKMASA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-16(17-20)15-11-13-7-4-8-14(13)18(15)23(21,22)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-15,20H,4,7-8,11H2,(H,17,19)/t13-,14-,15-/m1/s1.
What are the key properties of (2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
(2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-N-hydroxy-1-(2-phenylethenylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 91413479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).