N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide

C12H19BrN2O3S2 — CID 47141073

IUPACN-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)Cc2ccc(Br)s2)CC(C)O1
InChIInChI=1S/C12H19BrN2O3S2/c1-9-6-15(7-10(2)18-9)20(16,17)14(3)8-11-4-5-12(13)19-11/h4-5,9-10H,6-8H2,1-3H3
InChIKeyCGLRVKHTGNDGLC-UHFFFAOYSA-N
MW383.33 g/mol
LogP2.30
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide

N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide (PubChem CID 47141073) has the molecular formula C12H19BrN2O3S2 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
PubChem CID47141073
Molecular FormulaC12H19BrN2O3S2
Molecular Weight383.33 g/mol
Exact Mass382.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)Cc2ccc(Br)s2)CC(C)O1
InChIInChI=1S/C12H19BrN2O3S2/c1-9-6-15(7-10(2)18-9)20(16,17)14(3)8-11-4-5-12(13)19-11/h4-5,9-10H,6-8H2,1-3H3
InChIKeyCGLRVKHTGNDGLC-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Bromothien-2-YL)methyl]morpholine
CID 783497
1-[(5-Bromothiophen-2-yl)methyl-methylamino]-3-(2-hydroxyethoxy)propan-2-ol
CID 71847948
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]morpholine-4-sulfonamide
CID 71871430
4-[(5-Bromothiophen-2-yl)methyl]morpholine
CID 21914272
(2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
CID 59332666
4-[1-(5-Bromo-thiophen-2-yl)-ethyl]-morpholine
CID 67046594
4-[(5-Bromo-4-methylthiophen-2-yl)methyl]morpholine
CID 67046884
2-(5-Bromothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 20113412
2-(5-Bromothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 20115715
4-[(5-Bromothiophen-2-yl)-morpholin-4-ylmethyl]morpholine
CID 21627267
4-[(5-Bromo-2-thienyl)methyl]-2,6-dimethylmorpholine
CID 23737005
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 28479148

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide (CID 47141073) is N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)N(C)Cc2ccc(Br)s2)CC(C)O1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
The InChIKey is CGLRVKHTGNDGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S2/c1-9-6-15(7-10(2)18-9)20(16,17)14(3)8-11-4-5-12(13)19-11/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide?
N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide has a molecular weight of 383.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 47141073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).