(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine

C10H14BrNO3S2 — CID 103931361

IUPAC(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@H](C)O1
InChIInChI=1S/C10H14BrNO3S2/c1-7-5-12(6-8(2)15-7)17(13,14)10-9(11)3-4-16-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyHTFBFSNBFQSMJS-OCAPTIKFSA-N
MW340.26 g/mol
LogP2.31
Rot. Bonds2

About (2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine

(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 103931361) has the molecular formula C10H14BrNO3S2 and a molecular weight of 340.26 g/mol. Its IUPAC name is (2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
PubChem CID103931361
Molecular FormulaC10H14BrNO3S2
Molecular Weight340.26 g/mol
Exact Mass338.96
IUPAC Name(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@H](C)O1
InChIInChI=1S/C10H14BrNO3S2/c1-7-5-12(6-8(2)15-7)17(13,14)10-9(11)3-4-16-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyHTFBFSNBFQSMJS-OCAPTIKFSA-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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Related Compounds

1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
(3S)-1-(3-bromothiophen-2-yl)sulfonyl-3-methylpiperazine
CID 104976618
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896811
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
CID 115917687
1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one
CID 61074164
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine (CID 103931361) is (2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine is C[C@@H]1CN(S(=O)(=O)c2sccc2Br)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is HTFBFSNBFQSMJS-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H14BrNO3S2/c1-7-5-12(6-8(2)15-7)17(13,14)10-9(11)3-4-16-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8+.
What are the key properties of (2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-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 (2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 103931361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).