5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide

C13H22N2O5S3 — CID 110345679

IUPAC5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2C)s1
InChIInChI=1S/C13H22N2O5S3/c1-3-12-4-5-13(21-12)23(18,19)14-6-9-22(16,17)15-7-8-20-10-11(15)2/h4-5,11,14H,3,6-10H2,1-2H3
InChIKeyRYFZDLVAVPRAFY-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.64
Rot. Bonds7

About 5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide (PubChem CID 110345679) has the molecular formula C13H22N2O5S3 and a molecular weight of 382.53 g/mol. Its IUPAC name is 5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
PubChem CID110345679
Molecular FormulaC13H22N2O5S3
Molecular Weight382.53 g/mol
Exact Mass382.07
IUPAC Name5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2C)s1
InChIInChI=1S/C13H22N2O5S3/c1-3-12-4-5-13(21-12)23(18,19)14-6-9-22(16,17)15-7-8-20-10-11(15)2/h4-5,11,14H,3,6-10H2,1-2H3
InChIKeyRYFZDLVAVPRAFY-UHFFFAOYSA-N
XLogP0.64
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345680
4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345672
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide
CID 110345658
1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
CID 110345689
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
CID 110345614
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide
CID 110345613
(3R)-4-ethylsulfonyl-3-methylmorpholine
CID 106833772
2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345598
5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide
CID 71792745
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide
CID 110345641
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide (CID 110345679) is 5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2C)s1.
What is the InChIKey of 5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide?
The InChIKey is RYFZDLVAVPRAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S3/c1-3-12-4-5-13(21-12)23(18,19)14-6-9-22(16,17)15-7-8-20-10-11(15)2/h4-5,11,14H,3,6-10H2,1-2H3.
What are the key properties of 5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide has a molecular weight of 382.53 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110345679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).