(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one

C17H24N2O2S — CID 99931971

IUPAC(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one
SMILESCSCC[C@@H](O)C(=O)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C17H24N2O2S/c1-22-11-6-15(20)16(21)19-9-7-17(8-10-19)12-18-14-5-3-2-4-13(14)17/h2-5,15,18,20H,6-12H2,1H3/t15-/m1/s1
InChIKeyPQHFVNZYBVGUPV-OAHLLOKOSA-N
MW320.46 g/mol
LogP2.09
Rot. Bonds4

About (2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one

(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one (PubChem CID 99931971) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one
PubChem CID99931971
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one
SMILESCSCC[C@@H](O)C(=O)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C17H24N2O2S/c1-22-11-6-15(20)16(21)19-9-7-17(8-10-19)12-18-14-5-3-2-4-13(14)17/h2-5,15,18,20H,6-12H2,1H3/t15-/m1/s1
InChIKeyPQHFVNZYBVGUPV-OAHLLOKOSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
(2S)-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 99982325
1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione
CID 77096966
spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
6-ethyl-5-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 162629513
1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 118788787
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 118777229
2-hydroxy-1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-4-methylsulfanylbutan-1-one
CID 70705717
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one?
The IUPAC name of (2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one (CID 99931971) is (2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one?
The canonical SMILES for (2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one is CSCC[C@@H](O)C(=O)N1CCC2(CC1)CNc1ccccc12.
What is the InChIKey of (2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one?
The InChIKey is PQHFVNZYBVGUPV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-22-11-6-15(20)16(21)19-9-7-17(8-10-19)12-18-14-5-3-2-4-13(14)17/h2-5,15,18,20H,6-12H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one?
(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one has a molecular weight of 320.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one is sourced from PubChem (CID 99931971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).