1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C19H22N2O5S2 — CID 654254

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C19H22N2O5S2/c22-19(20-13-15-2-1-11-27-15)14-5-7-21(8-6-14)28(23,24)16-3-4-17-18(12-16)26-10-9-25-17/h1-4,11-12,14H,5-10,13H2,(H,20,22)
InChIKeyUVDHHJZJGXTIKD-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.24
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 654254) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID654254
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C19H22N2O5S2/c22-19(20-13-15-2-1-11-27-15)14-5-7-21(8-6-14)28(23,24)16-3-4-17-18(12-16)26-10-9-25-17/h1-4,11-12,14H,5-10,13H2,(H,20,22)
InChIKeyUVDHHJZJGXTIKD-UHFFFAOYSA-N
XLogP2.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 654254) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is UVDHHJZJGXTIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c22-19(20-13-15-2-1-11-27-15)14-5-7-21(8-6-14)28(23,24)16-3-4-17-18(12-16)26-10-9-25-17/h1-4,11-12,14H,5-10,13H2,(H,20,22).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 654254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).