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

C18H28N2O3S — CID 95722046

IUPAC3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCC2(CC1)c1ccccc1C[C@H]2O
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/t17-/m1/s1
InChIKeyUGUSUNMTRNLFEO-QGZVFWFLSA-N
MW352.50 g/mol
LogP1.22
Rot. Bonds5

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

3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 95722046) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID95722046
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCC2(CC1)c1ccccc1C[C@H]2O
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/t17-/m1/s1
InChIKeyUGUSUNMTRNLFEO-QGZVFWFLSA-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

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

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide
CID 126809315
3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one
CID 91840649
(2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 95725868
1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 91837176
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-methylborinic acid
CID 58632796
(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
CID 56889620
3-[(6S)-4-benzyl-6-hydroxy-1,4-diazepan-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 98863466
1-[3-(dimethylsulfamoyl)propyl]-4-methylpiperidine-4-carboxamide
CID 131893059
1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56912885
1-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 95726493
1'-(5-ethyl-1,3,4-oxadiazol-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 72841342
1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one
CID 56894938

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide (CID 95722046) is 3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1CCC2(CC1)c1ccccc1C[C@H]2O.
What is the InChIKey of 3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is UGUSUNMTRNLFEO-QGZVFWFLSA-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/t17-/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[(2R)-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-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 95722046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).