(1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H32N2OS — CID 28953968

IUPAC(1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCC(C)=CCN1CCC2(CC1)c1ccccc1[C@@H](N1CCSCC1)[C@@H]2O
InChIInChI=1S/C22H32N2OS/c1-17(2)7-10-23-11-8-22(9-12-23)19-6-4-3-5-18(19)20(21(22)25)24-13-15-26-16-14-24/h3-7,20-21,25H,8-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyPONCXYBBYQSZQV-RTWAWAEBSA-N
MW372.58 g/mol
LogP3.45
Rot. Bonds3

About (1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 28953968) has the molecular formula C22H32N2OS and a molecular weight of 372.58 g/mol. Its IUPAC name is (1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID28953968
Molecular FormulaC22H32N2OS
Molecular Weight372.58 g/mol
Exact Mass372.22
IUPAC Name(1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCC(C)=CCN1CCC2(CC1)c1ccccc1[C@@H](N1CCSCC1)[C@@H]2O
InChIInChI=1S/C22H32N2OS/c1-17(2)7-10-23-11-8-22(9-12-23)19-6-4-3-5-18(19)20(21(22)25)24-13-15-26-16-14-24/h3-7,20-21,25H,8-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyPONCXYBBYQSZQV-RTWAWAEBSA-N
XLogP3.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 28953968) is (1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CC(C)=CCN1CCC2(CC1)c1ccccc1[C@@H](N1CCSCC1)[C@@H]2O.
What is the InChIKey of (1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is PONCXYBBYQSZQV-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H32N2OS/c1-17(2)7-10-23-11-8-22(9-12-23)19-6-4-3-5-18(19)20(21(22)25)24-13-15-26-16-14-24/h3-7,20-21,25H,8-16H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of (1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 372.58 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1'-(3-methylbut-2-enyl)-1-thiomorpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 28953968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).