4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine

C10H14BrNO3S2 — CID 61392339

IUPAC4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine
SMILESCCC1COCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO3S2/c1-2-8-7-15-6-5-12(8)17(13,14)10-4-3-9(11)16-10/h3-4,8H,2,5-7H2,1H3
InChIKeyNIDZDCMUUAVMDY-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.31
Rot. Bonds3

About 4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine

4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine (PubChem CID 61392339) has the molecular formula C10H14BrNO3S2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine
PubChem CID61392339
Molecular FormulaC10H14BrNO3S2
Molecular Weight340.26 g/mol
Exact Mass338.96
IUPAC Name4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine
SMILESCCC1COCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO3S2/c1-2-8-7-15-6-5-12(8)17(13,14)10-4-3-9(11)16-10/h3-4,8H,2,5-7H2,1H3
InChIKeyNIDZDCMUUAVMDY-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine?
The IUPAC name of 4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine (CID 61392339) is 4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine is CCC1COCCN1S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine?
The InChIKey is NIDZDCMUUAVMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S2/c1-2-8-7-15-6-5-12(8)17(13,14)10-4-3-9(11)16-10/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine?
4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine has a molecular weight of 340.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine is sourced from PubChem (CID 61392339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).