N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

C15H22N2O5S2 — CID 70757366

IUPACN-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SMILESCCS(=O)(=O)N1CCCCC(NC(=O)c2scc3c2OCCO3)C1
InChIInChI=1S/C15H22N2O5S2/c1-2-24(19,20)17-6-4-3-5-11(9-17)16-15(18)14-13-12(10-23-14)21-7-8-22-13/h10-11H,2-9H2,1H3,(H,16,18)
InChIKeyNNJULGUCOPUZCS-UHFFFAOYSA-N
MW374.48 g/mol
LogP1.45
Rot. Bonds4

About N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (PubChem CID 70757366) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
PubChem CID70757366
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC NameN-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SMILESCCS(=O)(=O)N1CCCCC(NC(=O)c2scc3c2OCCO3)C1
InChIInChI=1S/C15H22N2O5S2/c1-2-24(19,20)17-6-4-3-5-11(9-17)16-15(18)14-13-12(10-23-14)21-7-8-22-13/h10-11H,2-9H2,1H3,(H,16,18)
InChIKeyNNJULGUCOPUZCS-UHFFFAOYSA-N
XLogP1.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide 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-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 96578265
N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide
CID 96581050
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide
CID 146336705
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97203995
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 49081677
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The IUPAC name of N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (CID 70757366) is N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.
What is the SMILES notation for N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The canonical SMILES for N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is CCS(=O)(=O)N1CCCCC(NC(=O)c2scc3c2OCCO3)C1.
What is the InChIKey of N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The InChIKey is NNJULGUCOPUZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-2-24(19,20)17-6-4-3-5-11(9-17)16-15(18)14-13-12(10-23-14)21-7-8-22-13/h10-11H,2-9H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylazepan-3-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is sourced from PubChem (CID 70757366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).