N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide

C25H38N2O2S — CID 58624059

IUPACN-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CC2(CCN(C[C@H]3CC[C@H]4CCC[C@@H](C4)C3)CC2)c2ccccc21
InChIInChI=1S/C25H38N2O2S/c1-30(28,29)26-24-17-25(23-8-3-2-7-22(23)24)11-13-27(14-12-25)18-21-10-9-19-5-4-6-20(15-19)16-21/h2-3,7-8,19-21,24,26H,4-6,9-18H2,1H3/t19-,20+,21+,24-/m1/s1
InChIKeyOWUVTGQQCUPDDG-MDAIXWLXSA-N
MW430.66 g/mol
LogP4.62
Rot. Bonds4

About N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide

N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide (PubChem CID 58624059) has the molecular formula C25H38N2O2S and a molecular weight of 430.66 g/mol. Its IUPAC name is N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide
PubChem CID58624059
Molecular FormulaC25H38N2O2S
Molecular Weight430.66 g/mol
Exact Mass430.27
IUPAC NameN-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CC2(CCN(C[C@H]3CC[C@H]4CCC[C@@H](C4)C3)CC2)c2ccccc21
InChIInChI=1S/C25H38N2O2S/c1-30(28,29)26-24-17-25(23-8-3-2-7-22(23)24)11-13-27(14-12-25)18-21-10-9-19-5-4-6-20(15-19)16-21/h2-3,7-8,19-21,24,26H,4-6,9-18H2,1H3/t19-,20+,21+,24-/m1/s1
InChIKeyOWUVTGQQCUPDDG-MDAIXWLXSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide?
The IUPAC name of N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide (CID 58624059) is N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CC2(CCN(C[C@H]3CC[C@H]4CCC[C@@H](C4)C3)CC2)c2ccccc21.
What is the InChIKey of N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide?
The InChIKey is OWUVTGQQCUPDDG-MDAIXWLXSA-N. The full InChI is InChI=1S/C25H38N2O2S/c1-30(28,29)26-24-17-25(23-8-3-2-7-22(23)24)11-13-27(14-12-25)18-21-10-9-19-5-4-6-20(15-19)16-21/h2-3,7-8,19-21,24,26H,4-6,9-18H2,1H3/t19-,20+,21+,24-/m1/s1.
What are the key properties of N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide?
N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide has a molecular weight of 430.66 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1'-[[(1S,3S,6R)-3-bicyclo[4.3.1]decanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide is sourced from PubChem (CID 58624059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).