2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one

C15H17ClN2OS — CID 135989486

IUPAC2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one
SMILESC[C@H](/N=C1/NC(=O)C2(CCCC2)S1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-10(11-6-2-3-7-12(11)16)17-14-18-13(19)15(20-14)8-4-5-9-15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,17,18,19)/t10-/m0/s1
InChIKeyFWVZLQDKPQIXCR-JTQLQIEISA-N
MW308.83 g/mol
LogP3.93
Rot. Bonds2

About 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one

2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one (PubChem CID 135989486) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one
PubChem CID135989486
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one
SMILESC[C@H](/N=C1/NC(=O)C2(CCCC2)S1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-10(11-6-2-3-7-12(11)16)17-14-18-13(19)15(20-14)8-4-5-9-15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,17,18,19)/t10-/m0/s1
InChIKeyFWVZLQDKPQIXCR-JTQLQIEISA-N
XLogP3.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[4-(aminomethyl)phenyl]-2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;ethane
CID 143467950
2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one
CID 143468539
2-[1-(3,5-dimethylcyclohexyl)ethylimino]-1-thia-3-azaspiro[4.4]nonan-4-one
CID 136595559
(5R)-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513272
6-[1-(4-chlorophenyl)cyclobutyl]imino-5-thia-7-azaspiro[3.4]octan-8-one
CID 135399955
5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513260
5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one
CID 135989721
N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 153198108
8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096866
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284
4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide
CID 135989728
methyl 4-[5-methyl-4-oxo-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-5-yl]benzoate
CID 135989744

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one?
The IUPAC name of 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one (CID 135989486) is 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one is C[C@H](/N=C1/NC(=O)C2(CCCC2)S1)c1ccccc1Cl.
What is the InChIKey of 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one?
The InChIKey is FWVZLQDKPQIXCR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-10(11-6-2-3-7-12(11)16)17-14-18-13(19)15(20-14)8-4-5-9-15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,17,18,19)/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one?
2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one has a molecular weight of 308.83 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one is sourced from PubChem (CID 135989486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).