spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone

C16H20N2OS — CID 110750187

IUPACspiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C16H20N2OS/c19-15(13-9-20-11-17-13)18-10-16(7-3-4-8-16)12-5-1-2-6-14(12)18/h1-2,5-6,13,17H,3-4,7-11H2
InChIKeyZOKKFJJLEDVWLN-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.51
Rot. Bonds1

About spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone

spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone (PubChem CID 110750187) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Namespiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone
PubChem CID110750187
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Namespiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C16H20N2OS/c19-15(13-9-20-11-17-13)18-10-16(7-3-4-8-16)12-5-1-2-6-14(12)18/h1-2,5-6,13,17H,3-4,7-11H2
InChIKeyZOKKFJJLEDVWLN-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[2H-indole-3,1'-cyclopropane]-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119328064
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119312873
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
CID 124860257
[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
CID 124860256
(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
CID 110741432
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
piperidin-3-yl(spiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119329090
morpholin-2-yl(spiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119793377
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 166229712

Frequently Asked Questions

What is the IUPAC name of spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone (CID 110750187) is spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone is O=C(C1CSCN1)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone?
The InChIKey is ZOKKFJJLEDVWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-15(13-9-20-11-17-13)18-10-16(7-3-4-8-16)12-5-1-2-6-14(12)18/h1-2,5-6,13,17H,3-4,7-11H2.
What are the key properties of spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone?
spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone has a molecular weight of 288.42 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110750187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).