4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide

C20H29N3O5S — CID 46483094

IUPAC4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1
InChIInChI=1S/C20H29N3O5S/c1-21(2)29(25,26)23-11-9-22(10-12-23)19(24)20(7-3-4-8-20)16-5-6-17-18(15-16)28-14-13-27-17/h5-6,15H,3-4,7-14H2,1-2H3
InChIKeyBFAFYPFNYOEGHZ-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.22
Rot. Bonds4

About 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 46483094) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID46483094
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1
InChIInChI=1S/C20H29N3O5S/c1-21(2)29(25,26)23-11-9-22(10-12-23)19(24)20(7-3-4-8-20)16-5-6-17-18(15-16)28-14-13-27-17/h5-6,15H,3-4,7-14H2,1-2H3
InChIKeyBFAFYPFNYOEGHZ-UHFFFAOYSA-N
XLogP1.22
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide with MolForge

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Related Compounds

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32503491
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 113198662
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanone
CID 146076167
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 113198678
N-(1,3-benzodioxol-5-yl)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 39641294
N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide
CID 55599943
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
4-[2-(1,3-benzodioxol-5-yl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110805106
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 55452456
(2-morpholin-4-yl-2-oxoethyl) 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 26989506

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 46483094) is 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1.
What is the InChIKey of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is BFAFYPFNYOEGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-21(2)29(25,26)23-11-9-22(10-12-23)19(24)20(7-3-4-8-20)16-5-6-17-18(15-16)28-14-13-27-17/h5-6,15H,3-4,7-14H2,1-2H3.
What are the key properties of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 423.54 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 46483094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).