4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine

C10H13Br2NO3S2 — CID 3841495

IUPAC4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2cc(Br)c(Br)s2)CC(C)O1
InChIInChI=1S/C10H13Br2NO3S2/c1-6-4-13(5-7(2)16-6)18(14,15)9-3-8(11)10(12)17-9/h3,6-7H,4-5H2,1-2H3
InChIKeyQLWVZFFSVNQBOU-UHFFFAOYSA-N
MW419.16 g/mol
LogP3.07
Rot. Bonds2

About 4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine

4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 3841495) has the molecular formula C10H13Br2NO3S2 and a molecular weight of 419.16 g/mol. Its IUPAC name is 4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
PubChem CID3841495
Molecular FormulaC10H13Br2NO3S2
Molecular Weight419.16 g/mol
Exact Mass416.87
IUPAC Name4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2cc(Br)c(Br)s2)CC(C)O1
InChIInChI=1S/C10H13Br2NO3S2/c1-6-4-13(5-7(2)16-6)18(14,15)9-3-8(11)10(12)17-9/h3,6-7H,4-5H2,1-2H3
InChIKeyQLWVZFFSVNQBOU-UHFFFAOYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.16
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine (CID 3841495) is 4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2cc(Br)c(Br)s2)CC(C)O1.
What is the InChIKey of 4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is QLWVZFFSVNQBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO3S2/c1-6-4-13(5-7(2)16-6)18(14,15)9-3-8(11)10(12)17-9/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 419.16 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 3841495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).