N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H20N2O5S2 — CID 3245817

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H20N2O5S2/c21-18(19-14-3-4-15-16(12-14)25-10-9-24-15)13-5-7-20(8-6-13)27(22,23)17-2-1-11-26-17/h1-4,11-13H,5-10H2,(H,19,21)
InChIKeyOHZBZSQGEQNMOT-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.56
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3245817) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID3245817
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H20N2O5S2/c21-18(19-14-3-4-15-16(12-14)25-10-9-24-15)13-5-7-20(8-6-13)27(22,23)17-2-1-11-26-17/h1-4,11-13H,5-10H2,(H,19,21)
InChIKeyOHZBZSQGEQNMOT-UHFFFAOYSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 3245817) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is OHZBZSQGEQNMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c21-18(19-14-3-4-15-16(12-14)25-10-9-24-15)13-5-7-20(8-6-13)27(22,23)17-2-1-11-26-17/h1-4,11-13H,5-10H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3245817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).