3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide

C18H28N2O3S — CID 56907595

IUPAC3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H28N2O3S/c1-19(2)24(22,23)13-5-10-20-11-8-18(9-12-20)16-7-4-3-6-15(16)14-17(18)21/h3-4,6-7,17,21H,5,8-14H2,1-2H3
InChIKeyUGUSUNMTRNLFEO-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.22
Rot. Bonds5

About 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide

3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide (PubChem CID 56907595) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide
PubChem CID56907595
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H28N2O3S/c1-19(2)24(22,23)13-5-10-20-11-8-18(9-12-20)16-7-4-3-6-15(16)14-17(18)21/h3-4,6-7,17,21H,5,8-14H2,1-2H3
InChIKeyUGUSUNMTRNLFEO-UHFFFAOYSA-N
XLogP1.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide (CID 56907595) is 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is UGUSUNMTRNLFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-19(2)24(22,23)13-5-10-20-11-8-18(9-12-20)16-7-4-3-6-15(16)14-17(18)21/h3-4,6-7,17,21H,5,8-14H2,1-2H3.
What are the key properties of 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide?
3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 352.50 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 56907595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).