2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one

C20H25NO3S — CID 15011336

IUPAC2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CS(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C20H25NO3S/c22-19-8-4-2-6-17(19)15-25(23,24)21-13-11-20(12-14-21)10-9-16-5-1-3-7-18(16)20/h1,3,5,7,9-10,17H,2,4,6,8,11-15H2
InChIKeyLQQRPXHFUDAXHB-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.14
Rot. Bonds3

About 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one

2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one (PubChem CID 15011336) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one
PubChem CID15011336
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CS(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C20H25NO3S/c22-19-8-4-2-6-17(19)15-25(23,24)21-13-11-20(12-14-21)10-9-16-5-1-3-7-18(16)20/h1,3,5,7,9-10,17H,2,4,6,8,11-15H2
InChIKeyLQQRPXHFUDAXHB-UHFFFAOYSA-N
XLogP3.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one?
The IUPAC name of 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one (CID 15011336) is 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one?
The canonical SMILES for 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one is O=C1CCCCC1CS(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one?
The InChIKey is LQQRPXHFUDAXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c22-19-8-4-2-6-17(19)15-25(23,24)21-13-11-20(12-14-21)10-9-16-5-1-3-7-18(16)20/h1,3,5,7,9-10,17H,2,4,6,8,11-15H2.
What are the key properties of 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one?
2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one has a molecular weight of 359.49 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)cyclohexan-1-one is sourced from PubChem (CID 15011336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).