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

C18H26N2O4S — CID 89099093

IUPAC(2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2[C@@H](C(=O)NO)CC3CCC[C@H]32)cc1
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)13-7-9-14(10-8-13)25(23,24)20-15-6-4-5-12(15)11-16(20)17(21)19-22/h7-10,12,15-16,22H,4-6,11H2,1-3H3,(H,19,21)/t12?,15-,16-/m1/s1
InChIKeyUVCQIKMCYHTLDB-XHAYOOOLSA-N
MW366.48 g/mol
LogP2.42
Rot. Bonds3

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

(2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (PubChem CID 89099093) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is (2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
PubChem CID89099093
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name(2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2[C@@H](C(=O)NO)CC3CCC[C@H]32)cc1
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)13-7-9-14(10-8-13)25(23,24)20-15-6-4-5-12(15)11-16(20)17(21)19-22/h7-10,12,15-16,22H,4-6,11H2,1-3H3,(H,19,21)/t12?,15-,16-/m1/s1
InChIKeyUVCQIKMCYHTLDB-XHAYOOOLSA-N
XLogP2.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.42
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The IUPAC name of (2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (CID 89099093) is (2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The canonical SMILES for (2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H](C(=O)NO)CC3CCC[C@H]32)cc1.
What is the InChIKey of (2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is UVCQIKMCYHTLDB-XHAYOOOLSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-18(2,3)13-7-9-14(10-8-13)25(23,24)20-15-6-4-5-12(15)11-16(20)17(21)19-22/h7-10,12,15-16,22H,4-6,11H2,1-3H3,(H,19,21)/t12?,15-,16-/m1/s1.
What are the key properties of (2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
(2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6aR)-1-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 89099093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).