5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide

C12H19BrN2O3S2 — CID 115690361

IUPAC5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2cc(Br)sc2C)C1
InChIInChI=1S/C12H19BrN2O3S2/c1-3-15-4-5-18-10(8-15)7-14-20(16,17)11-6-12(13)19-9(11)2/h6,10,14H,3-5,7-8H2,1-2H3
InChIKeyJYXKFRNSIIQYMI-UHFFFAOYSA-N
MW383.33 g/mol
LogP1.82
Rot. Bonds5

About 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide

5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide (PubChem CID 115690361) has the molecular formula C12H19BrN2O3S2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide
PubChem CID115690361
Molecular FormulaC12H19BrN2O3S2
Molecular Weight383.33 g/mol
Exact Mass382.00
IUPAC Name5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2cc(Br)sc2C)C1
InChIInChI=1S/C12H19BrN2O3S2/c1-3-15-4-5-18-10(8-15)7-14-20(16,17)11-6-12(13)19-9(11)2/h6,10,14H,3-5,7-8H2,1-2H3
InChIKeyJYXKFRNSIIQYMI-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
CID 115630805
N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 114401039
N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114401040
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 114399151
5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 115690359
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653
4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
CID 79165325
2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
CID 115323961
5-amino-4-bromo-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 114625895
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide (CID 115690361) is 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide is CCN1CCOC(CNS(=O)(=O)c2cc(Br)sc2C)C1.
What is the InChIKey of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide?
The InChIKey is JYXKFRNSIIQYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S2/c1-3-15-4-5-18-10(8-15)7-14-20(16,17)11-6-12(13)19-9(11)2/h6,10,14H,3-5,7-8H2,1-2H3.
What are the key properties of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide?
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide has a molecular weight of 383.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 115690361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).