N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide

C20H32N4O4S — CID 146073034

IUPACN-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1C[C@H]2CN(C(=O)CCC3CCCC3)C[C@@]2(c2nc(C)no2)C1
InChIInChI=1S/C20H32N4O4S/c1-3-29(26,27)23-17-10-16-12-24(18(25)9-8-15-6-4-5-7-15)13-20(16,11-17)19-21-14(2)22-28-19/h15-17,23H,3-13H2,1-2H3/t16-,17+,20-/m0/s1
InChIKeyUMVNNALLROFUGC-QKLQHJQFSA-N
MW424.57 g/mol
LogP2.15
Rot. Bonds7

About N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide

N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide (PubChem CID 146073034) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
PubChem CID146073034
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC NameN-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1C[C@H]2CN(C(=O)CCC3CCCC3)C[C@@]2(c2nc(C)no2)C1
InChIInChI=1S/C20H32N4O4S/c1-3-29(26,27)23-17-10-16-12-24(18(25)9-8-15-6-4-5-7-15)13-20(16,11-17)19-21-14(2)22-28-19/h15-17,23H,3-13H2,1-2H3/t16-,17+,20-/m0/s1
InChIKeyUMVNNALLROFUGC-QKLQHJQFSA-N
XLogP2.15
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(1-phenylcyclopropanecarbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
CID 146073198
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-methylpyridine-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
CID 146073037
N-[(3aR,5R,6aR)-2-(1H-indole-4-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
CID 146073184
N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]cyclopropanesulfonamide
CID 146073341
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-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 146073167
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
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-[2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]methanesulfonamide
CID 171149004
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
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
N-[2-(2-methoxyacetyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-5-methylpyridine-3-carboxamide
CID 171144762

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide?
The IUPAC name of N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide (CID 146073034) is N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide?
The canonical SMILES for N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1C[C@H]2CN(C(=O)CCC3CCCC3)C[C@@]2(c2nc(C)no2)C1.
What is the InChIKey of N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide?
The InChIKey is UMVNNALLROFUGC-QKLQHJQFSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-3-29(26,27)23-17-10-16-12-24(18(25)9-8-15-6-4-5-7-15)13-20(16,11-17)19-21-14(2)22-28-19/h15-17,23H,3-13H2,1-2H3/t16-,17+,20-/m0/s1.
What are the key properties of N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide?
N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide has a molecular weight of 424.57 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide is sourced from PubChem (CID 146073034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).