4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide

C14H22N2O3S2 — CID 79825326

IUPAC4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide
SMILESCCC1(C)CCN(C(=O)c2csc(S(N)(=O)=O)c2C)CC1
InChIInChI=1S/C14H22N2O3S2/c1-4-14(3)5-7-16(8-6-14)12(17)11-9-20-13(10(11)2)21(15,18)19/h9H,4-8H2,1-3H3,(H2,15,18,19)
InChIKeyQTQHKCFPTOHWGO-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.36
Rot. Bonds3

About 4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide

4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide (PubChem CID 79825326) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide
PubChem CID79825326
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide
SMILESCCC1(C)CCN(C(=O)c2csc(S(N)(=O)=O)c2C)CC1
InChIInChI=1S/C14H22N2O3S2/c1-4-14(3)5-7-16(8-6-14)12(17)11-9-20-13(10(11)2)21(15,18)19/h9H,4-8H2,1-3H3,(H2,15,18,19)
InChIKeyQTQHKCFPTOHWGO-UHFFFAOYSA-N
XLogP2.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-5-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 81109492
(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156469
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 120629930
(4-ethyl-4-methylpiperidin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 62728608
(3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156628
(2-bromo-5-methoxyphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 62612905
(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone
CID 55137830
3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 79808382
(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 63161790
ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate
CID 62614238
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156979

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide?
The IUPAC name of 4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide (CID 79825326) is 4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide?
The canonical SMILES for 4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide is CCC1(C)CCN(C(=O)c2csc(S(N)(=O)=O)c2C)CC1.
What is the InChIKey of 4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide?
The InChIKey is QTQHKCFPTOHWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-4-14(3)5-7-16(8-6-14)12(17)11-9-20-13(10(11)2)21(15,18)19/h9H,4-8H2,1-3H3,(H2,15,18,19).
What are the key properties of 4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide?
4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79825326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).