5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide

C13H20N2O4S2 — CID 115612442

IUPAC5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
SMILESCCOC1CCN(C(=O)c2cc(S(N)(=O)=O)c(C)s2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-3-19-10-4-6-15(7-5-10)13(16)11-8-12(9(2)20-11)21(14,17)18/h8,10H,3-7H2,1-2H3,(H2,14,17,18)
InChIKeyYSKNTKKNGRYMLP-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.35
Rot. Bonds4

About 5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide

5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide (PubChem CID 115612442) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
PubChem CID115612442
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
SMILESCCOC1CCN(C(=O)c2cc(S(N)(=O)=O)c(C)s2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-3-19-10-4-6-15(7-5-10)13(16)11-8-12(9(2)20-11)21(14,17)18/h8,10H,3-7H2,1-2H3,(H2,14,17,18)
InChIKeyYSKNTKKNGRYMLP-UHFFFAOYSA-N
XLogP1.35
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride
CID 154750761
(4-amino-5-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109090
5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 124589177
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
CID 115888736
3-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871552
N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612435
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998
(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 63185244
(4-methoxypiperidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 71943781
(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218225
(5-bromo-4-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79917874

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide (CID 115612442) is 5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide is CCOC1CCN(C(=O)c2cc(S(N)(=O)=O)c(C)s2)CC1.
What is the InChIKey of 5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is YSKNTKKNGRYMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-3-19-10-4-6-15(7-5-10)13(16)11-8-12(9(2)20-11)21(14,17)18/h8,10H,3-7H2,1-2H3,(H2,14,17,18).
What are the key properties of 5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide?
5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxypiperidine-1-carbonyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 115612442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).