4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine

C10H14BrNO3S2 — CID 61384239

IUPAC4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO3S2/c1-10(2)7-15-5-4-12(10)17(13,14)9-8(11)3-6-16-9/h3,6H,4-5,7H2,1-2H3
InChIKeyCYLVILXCLJGINQ-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.31
Rot. Bonds2

About 4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine

4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine (PubChem CID 61384239) has the molecular formula C10H14BrNO3S2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine
PubChem CID61384239
Molecular FormulaC10H14BrNO3S2
Molecular Weight340.26 g/mol
Exact Mass338.96
IUPAC Name4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO3S2/c1-10(2)7-15-5-4-12(10)17(13,14)9-8(11)3-6-16-9/h3,6H,4-5,7H2,1-2H3
InChIKeyCYLVILXCLJGINQ-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine?
The IUPAC name of 4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine (CID 61384239) is 4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine?
The canonical SMILES for 4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine is CC1(C)COCCN1S(=O)(=O)c1sccc1Br.
What is the InChIKey of 4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine?
The InChIKey is CYLVILXCLJGINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S2/c1-10(2)7-15-5-4-12(10)17(13,14)9-8(11)3-6-16-9/h3,6H,4-5,7H2,1-2H3.
What are the key properties of 4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine?
4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine has a molecular weight of 340.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine is sourced from PubChem (CID 61384239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).