N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide

C17H26N2O2S — CID 126809315

IUPACN,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1Cc2ccccc2C2(CCC2)C1
InChIInChI=1S/C17H26N2O2S/c1-18(2)22(20,21)12-6-11-19-13-15-7-3-4-8-16(15)17(14-19)9-5-10-17/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKeyIFBDTRNWRBTXRU-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.21
Rot. Bonds5

About N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide

N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide (PubChem CID 126809315) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide
PubChem CID126809315
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1Cc2ccccc2C2(CCC2)C1
InChIInChI=1S/C17H26N2O2S/c1-18(2)22(20,21)12-6-11-19-13-15-7-3-4-8-16(15)17(14-19)9-5-10-17/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKeyIFBDTRNWRBTXRU-UHFFFAOYSA-N
XLogP2.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylpropane-1-sulfonamide
CID 95722046
2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]
CID 110667496
2-(4-methylsulfonylphenyl)-1-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol
CID 129009332
N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide
CID 75514639
3-[(6S)-4-benzyl-6-hydroxy-1,4-diazepan-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 98863466
3-[(3R,3aS,6aR)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride
CID 171330425
1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
CID 134079358
1-pyrazol-1-yl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropan-2-ol
CID 126808771
N-(2-oxo-2-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylethyl)prop-2-enamide
CID 154871064
2-spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-ylacetamide;hydrochloride
CID 155857534
2-[[1-[3-(dimethylsulfamoyl)propyl]pyrrolidin-3-yl]methyl]benzoic acid;formic acid
CID 171709946
3-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 56894307

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide (CID 126809315) is N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1Cc2ccccc2C2(CCC2)C1.
What is the InChIKey of N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide?
The InChIKey is IFBDTRNWRBTXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-18(2)22(20,21)12-6-11-19-13-15-7-3-4-8-16(15)17(14-19)9-5-10-17/h3-4,7-8H,5-6,9-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide?
N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide has a molecular weight of 322.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-spiro[1,3-dihydroisoquinoline-4,1'-cyclobutane]-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 126809315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).