[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone

C21H26N2O2S — CID 56901608

IUPAC[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cs1
InChIInChI=1S/C21H26N2O2S/c1-13(2)17-11-14(12-26-17)20(25)23-9-7-21(8-10-23)16-6-4-3-5-15(16)18(22)19(21)24/h3-6,11-13,18-19,24H,7-10,22H2,1-2H3/t18-,19+/m1/s1
InChIKeyRLYHGZNYRPIKSP-MOPGFXCFSA-N
MW370.52 g/mol
LogP3.42
Rot. Bonds2

About [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone

[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone (PubChem CID 56901608) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone
PubChem CID56901608
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cs1
InChIInChI=1S/C21H26N2O2S/c1-13(2)17-11-14(12-26-17)20(25)23-9-7-21(8-10-23)16-6-4-3-5-15(16)18(22)19(21)24/h3-6,11-13,18-19,24H,7-10,22H2,1-2H3/t18-,19+/m1/s1
InChIKeyRLYHGZNYRPIKSP-MOPGFXCFSA-N
XLogP3.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The IUPAC name of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone (CID 56901608) is [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone.
What is the SMILES notation for [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The canonical SMILES for [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cs1.
What is the InChIKey of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The InChIKey is RLYHGZNYRPIKSP-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-13(2)17-11-14(12-26-17)20(25)23-9-7-21(8-10-23)16-6-4-3-5-15(16)18(22)19(21)24/h3-6,11-13,18-19,24H,7-10,22H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone has a molecular weight of 370.52 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propan-2-ylthiophen-3-yl)methanone is sourced from PubChem (CID 56901608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).