N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide

C15H19NO4S — CID 134917870

IUPACN-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@@H]2OC(=O)[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C15H19NO4S/c1-10-6-8-11(9-7-10)21(18,19)16(2)14-12-4-3-5-13(12)15(17)20-14/h6-9,12-14H,3-5H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyYRTTUZPALIAZPO-HZSPNIEDSA-N
MW309.39 g/mol
LogP1.91
Rot. Bonds3

About N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide

N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide (PubChem CID 134917870) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide
PubChem CID134917870
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC NameN-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@@H]2OC(=O)[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C15H19NO4S/c1-10-6-8-11(9-7-10)21(18,19)16(2)14-12-4-3-5-13(12)15(17)20-14/h6-9,12-14H,3-5H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyYRTTUZPALIAZPO-HZSPNIEDSA-N
XLogP1.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R,3aS,7aR)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-2-benzofuran-1-yl]-N,4-dimethylbenzenesulfonamide
CID 11120863
ethyl 2-[(3aR,5aS)-2-(4-methylphenyl)sulfonyl-3,3a,5a,6,7,8-hexahydro-1H-cyclopenta[e]isoindol-8-yl]acetate
CID 24749434
N-[(2R,3R,4S)-3,4-dimethyl-5-oxooxolan-2-yl]-N,4-dimethylbenzenesulfonamide
CID 134917632
N-[(2S,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]-N,4-dimethylbenzenesulfonamide
CID 134917634
N-[(1R,3aS,8aR)-3-oxo-1,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide
CID 134917710
Ethyl 4-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]butanoate
CID 134940525
methyl (2S)-2-[(3S,4R)-1-(4-methylphenyl)sulfonyl-4-prop-2-enylpyrrolidin-3-yl]but-3-enoate
CID 135070058
N-[(3S,4R)-3,4-dimethyl-5-oxooxolan-2-yl]-N,4-dimethylbenzenesulfonamide
CID 139254666
methyl 4-[(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]butanoate
CID 162403831
Ethyl 3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 166445343
methyl 2-((1S,3aS,6aR)-2-tosyloctahydrocyclopenta[c]pyrrol-1-yl)acetate
CID 177823741
N-[(2R,3R,4R)-3,4-dimethyl-5-oxooxolan-2-yl]-N,4-dimethylbenzenesulfonamide
CID 10990152

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide (CID 134917870) is N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)[C@@H]2OC(=O)[C@H]3CCC[C@H]32)cc1.
What is the InChIKey of N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is YRTTUZPALIAZPO-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-10-6-8-11(9-7-10)21(18,19)16(2)14-12-4-3-5-13(12)15(17)20-14/h6-9,12-14H,3-5H2,1-2H3/t12-,13+,14-/m1/s1.
What are the key properties of N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide?
N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3aS,6aR)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 134917870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).