1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide

C20H29N3O7S2 — CID 45353788

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide
SMILESCN(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H29N3O7S2/c1-21(2)23(16-7-12-31(25,26)14-16)20(24)15-5-8-22(9-6-15)32(27,28)17-3-4-18-19(13-17)30-11-10-29-18/h3-4,13,15-16H,5-12,14H2,1-2H3
InChIKeyBZHYLNFOOUPDDO-UHFFFAOYSA-N
MW487.60 g/mol
LogP0.35
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide (PubChem CID 45353788) has the molecular formula C20H29N3O7S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide
PubChem CID45353788
Molecular FormulaC20H29N3O7S2
Molecular Weight487.60 g/mol
Exact Mass487.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide
SMILESCN(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H29N3O7S2/c1-21(2)23(16-7-12-31(25,26)14-16)20(24)15-5-8-22(9-6-15)32(27,28)17-3-4-18-19(13-17)30-11-10-29-18/h3-4,13,15-16H,5-12,14H2,1-2H3
InChIKeyBZHYLNFOOUPDDO-UHFFFAOYSA-N
XLogP0.35
TPSA113.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide 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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 55336042
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylacetamide
CID 48737542
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721464
N-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 32589694
[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 26500531
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 1075972
1-(1,3-benzodioxol-5-ylsulfonyl)-N,N-diethylpiperidine-4-carboxamide
CID 113005310
N-benzyl-N-[(2R)-butan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 41292474
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6600832
1-(1,3-benzodioxol-5-ylsulfonyl)-N-butyl-N-methylpiperidine-4-carboxamide
CID 113005716
2-methylbut-3-yn-2-yl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 47087452

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide (CID 45353788) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide is CN(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide?
The InChIKey is BZHYLNFOOUPDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O7S2/c1-21(2)23(16-7-12-31(25,26)14-16)20(24)15-5-8-22(9-6-15)32(27,28)17-3-4-18-19(13-17)30-11-10-29-18/h3-4,13,15-16H,5-12,14H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide has a molecular weight of 487.60 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide is sourced from PubChem (CID 45353788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).