1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine]

C17H24N2O3S — CID 166291332

IUPAC1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine]
SMILESCN1CC2(CCN(S(=O)(=O)C3CCOC3)CC2)c2ccccc21
InChIInChI=1S/C17H24N2O3S/c1-18-13-17(15-4-2-3-5-16(15)18)7-9-19(10-8-17)23(20,21)14-6-11-22-12-14/h2-5,14H,6-13H2,1H3
InChIKeyLCTSYVFXWYHUBI-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.59
Rot. Bonds2

About 1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine]

1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 166291332) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine]
PubChem CID166291332
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine]
SMILESCN1CC2(CCN(S(=O)(=O)C3CCOC3)CC2)c2ccccc21
InChIInChI=1S/C17H24N2O3S/c1-18-13-17(15-4-2-3-5-16(15)18)7-9-19(10-8-17)23(20,21)14-6-11-22-12-14/h2-5,14H,6-13H2,1H3
InChIKeyLCTSYVFXWYHUBI-UHFFFAOYSA-N
XLogP1.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine] (CID 166291332) is 1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine] is CN1CC2(CCN(S(=O)(=O)C3CCOC3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is LCTSYVFXWYHUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-18-13-17(15-4-2-3-5-16(15)18)7-9-19(10-8-17)23(20,21)14-6-11-22-12-14/h2-5,14H,6-13H2,1H3.
What are the key properties of 1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine]?
1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 336.46 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 166291332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).