1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide

C15H20N2O5S — CID 110350937

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H20N2O5S/c1-2-16-15(18)11-5-7-17(8-6-11)23(19,20)12-3-4-13-14(9-12)22-10-21-13/h3-4,9,11H,2,5-8,10H2,1H3,(H,16,18)
InChIKeyWWIOJCIGDDTNNU-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.95
Rot. Bonds4

About 1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide

1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide (PubChem CID 110350937) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide
PubChem CID110350937
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H20N2O5S/c1-2-16-15(18)11-5-7-17(8-6-11)23(19,20)12-3-4-13-14(9-12)22-10-21-13/h3-4,9,11H,2,5-8,10H2,1H3,(H,16,18)
InChIKeyWWIOJCIGDDTNNU-UHFFFAOYSA-N
XLogP0.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507307
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119507306
1-(1,3-benzodioxol-5-ylsulfonyl)-N,N-diethylpiperidine-4-carboxamide
CID 113005310
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 55806478
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[3-(methylamino)propyl]piperidine-4-carboxamide
CID 119432096
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1077664
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
1-(1,3-benzodioxol-5-ylsulfonyl)-N-butyl-N-methylpiperidine-4-carboxamide
CID 113005716
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N'-(2-phenylacetyl)piperidine-4-carbohydrazide
CID 24637551
N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
CID 120509042
N-(1-amino-2-methylpropan-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 119523430
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 52909184

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide (CID 110350937) is 1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide?
The InChIKey is WWIOJCIGDDTNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-2-16-15(18)11-5-7-17(8-6-11)23(19,20)12-3-4-13-14(9-12)22-10-21-13/h3-4,9,11H,2,5-8,10H2,1H3,(H,16,18).
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide?
1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 110350937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).