N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide

C17H24N4O4S — CID 146073082

IUPACN-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide
SMILESCc1noc([C@]23C[C@H](NC(=O)C4CC=CC4)C[C@H]2CN(S(C)(=O)=O)C3)n1
InChIInChI=1S/C17H24N4O4S/c1-11-18-16(25-20-11)17-8-14(19-15(22)12-5-3-4-6-12)7-13(17)9-21(10-17)26(2,23)24/h3-4,12-14H,5-10H2,1-2H3,(H,19,22)/t13-,14+,17-/m0/s1
InChIKeyZTWWEOKYULTYHQ-VBQJREDUSA-N
MW380.47 g/mol
LogP0.75
Rot. Bonds4

About N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide

N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide (PubChem CID 146073082) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide
PubChem CID146073082
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide
SMILESCc1noc([C@]23C[C@H](NC(=O)C4CC=CC4)C[C@H]2CN(S(C)(=O)=O)C3)n1
InChIInChI=1S/C17H24N4O4S/c1-11-18-16(25-20-11)17-8-14(19-15(22)12-5-3-4-6-12)7-13(17)9-21(10-17)26(2,23)24/h3-4,12-14H,5-10H2,1-2H3,(H,19,22)/t13-,14+,17-/m0/s1
InChIKeyZTWWEOKYULTYHQ-VBQJREDUSA-N
XLogP0.75
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide with MolForge

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Related Compounds

N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-methylbutanamide
CID 146072988
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-6-methylpyridine-3-carboxamide
CID 146073078
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(azepan-1-yl)acetamide
CID 146072978
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]furan-2-carboxamide
CID 146072966
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]quinoline-2-carboxamide
CID 146073016
1-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-(2-methylpropyl)urea
CID 146072984
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylimidazole-4-carboxamide
CID 146073007
N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-(3-methoxyphenyl)propanamide
CID 171144808
N-[2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclobutanecarboxamide
CID 171148838
N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 146072889
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-pyridin-4-ylacetamide
CID 146073160
N-[(3aR,5R,6aR)-2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylpyrazole-4-carboxamide
CID 146072866

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide (CID 146073082) is N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide is Cc1noc([C@]23C[C@H](NC(=O)C4CC=CC4)C[C@H]2CN(S(C)(=O)=O)C3)n1.
What is the InChIKey of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide?
The InChIKey is ZTWWEOKYULTYHQ-VBQJREDUSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-11-18-16(25-20-11)17-8-14(19-15(22)12-5-3-4-6-12)7-13(17)9-21(10-17)26(2,23)24/h3-4,12-14H,5-10H2,1-2H3,(H,19,22)/t13-,14+,17-/m0/s1.
What are the key properties of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide?
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-methylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 146073082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).