[(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate

C20H23NO3S — CID 6553629

IUPAC[(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1cccs1)C2
InChIInChI=1S/C20H23NO3S/c1-11-5-3-6-16(11)24-20(23)19-12(2)18-14(21-19)9-13(10-15(18)22)17-7-4-8-25-17/h4,7-8,11,13,16,21H,3,5-6,9-10H2,1-2H3/t11-,13-,16-/m1/s1
InChIKeyNAYSKQRCCYBSED-AXAPSJFSSA-N
MW357.48 g/mol
LogP4.64
Rot. Bonds3

About [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate

[(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 6553629) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID6553629
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name[(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1cccs1)C2
InChIInChI=1S/C20H23NO3S/c1-11-5-3-6-16(11)24-20(23)19-12(2)18-14(21-19)9-13(10-15(18)22)17-7-4-8-25-17/h4,7-8,11,13,16,21H,3,5-6,9-10H2,1-2H3/t11-,13-,16-/m1/s1
InChIKeyNAYSKQRCCYBSED-AXAPSJFSSA-N
XLogP4.64
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 2974585
[(1S,2R)-2-methylcyclopentyl] (6S)-6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 51408113
[(1R,2R)-2-methylcyclopentyl] (6S)-6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 51407253
(2-methylcyclopentyl) 6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 17285657
[(1R,2S)-2-methylcyclopentyl] (6R)-6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 27136962
benzyl (6S)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 2054280
[(1S,2S)-2-methylcyclopentyl] (6S)-3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxylate
CID 41123472
oxolan-2-ylmethyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 2978577
cyclopentyl (6R)-3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 866803
cycloheptyl (6R)-6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 1267589
methyl 3-methyl-6-(4-methylphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 3241795
cyclohexyl (6R)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 1267610

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate (CID 6553629) is [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate is Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1cccs1)C2.
What is the InChIKey of [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is NAYSKQRCCYBSED-AXAPSJFSSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-11-5-3-6-16(11)24-20(23)19-12(2)18-14(21-19)9-13(10-15(18)22)17-7-4-8-25-17/h4,7-8,11,13,16,21H,3,5-6,9-10H2,1-2H3/t11-,13-,16-/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate?
[(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 357.48 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 6553629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).