N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide

C24H28N2O5S — CID 26082601

IUPACN,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1
InChIInChI=1S/C24H28N2O5S/c1-25(2)32(28,29)19-7-5-17(6-8-19)23(27)26-15-18-13-21-22(31-12-11-30-21)14-20(18)24(16-26)9-3-4-10-24/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3
InChIKeyVTJPXQRXNSQURT-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.18
Rot. Bonds3

About N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide

N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide (PubChem CID 26082601) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide
PubChem CID26082601
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1
InChIInChI=1S/C24H28N2O5S/c1-25(2)32(28,29)19-7-5-17(6-8-19)23(27)26-15-18-13-21-22(31-12-11-30-21)14-20(18)24(16-26)9-3-4-10-24/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3
InChIKeyVTJPXQRXNSQURT-UHFFFAOYSA-N
XLogP3.18
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide with MolForge

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Related Compounds

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone
CID 51930984
3-(3,5-dimethoxyphenyl)-1-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylpropan-1-one
CID 30780574
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 1428300
N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 2556261
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
4-(1,3-benzothiazol-2-yl)-1-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylbutan-1-one
CID 26082603
N,N-dimethyl-4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8933051
4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 122162020
4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 113073023
2-(3,4-difluorobenzoyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644403
4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 71805819
[4-[5-(dimethylsulfamoyl)-1,3-dihydroisoindole-2-carbonyl]-2-formylphenyl]boronic acid
CID 167880311

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide (CID 26082601) is N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1.
What is the InChIKey of N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide?
The InChIKey is VTJPXQRXNSQURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-25(2)32(28,29)19-7-5-17(6-8-19)23(27)26-15-18-13-21-22(31-12-11-30-21)14-20(18)24(16-26)9-3-4-10-24/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide?
N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide has a molecular weight of 456.56 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide is sourced from PubChem (CID 26082601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).