4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine

C12H16BrNO2S2 — CID 115634660

IUPAC4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine
SMILESCC1SCCN(S(=O)(=O)c2ccccc2Br)C1C
InChIInChI=1S/C12H16BrNO2S2/c1-9-10(2)17-8-7-14(9)18(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyPPNNCVXAOCTLHQ-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.96
Rot. Bonds2

About 4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine

4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine (PubChem CID 115634660) has the molecular formula C12H16BrNO2S2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine
PubChem CID115634660
Molecular FormulaC12H16BrNO2S2
Molecular Weight350.30 g/mol
Exact Mass348.98
IUPAC Name4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine
SMILESCC1SCCN(S(=O)(=O)c2ccccc2Br)C1C
InChIInChI=1S/C12H16BrNO2S2/c1-9-10(2)17-8-7-14(9)18(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyPPNNCVXAOCTLHQ-UHFFFAOYSA-N
XLogP2.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine
CID 115671977
4-(2-bromophenyl)sulfonyl-3-methylsulfonylthiomorpholine
CID 66384439
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
CID 113238159
4-[2-bromo-5-(chloromethyl)-3-methylphenyl]sulfonyl-2,3-dimethylthiomorpholine
CID 114363719
5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile
CID 106269142
1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316542
1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951
4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
CID 113238157
methyl (2R)-4-(2-bromophenyl)sulfonylthiomorpholine-2-carboxylate
CID 8778057
1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine
CID 102921065
1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine
CID 63400724
2-(2-bromophenyl)sulfonyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78959724

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine?
The IUPAC name of 4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine (CID 115634660) is 4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine.
What is the SMILES notation for 4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine?
The canonical SMILES for 4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine is CC1SCCN(S(=O)(=O)c2ccccc2Br)C1C.
What is the InChIKey of 4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine?
The InChIKey is PPNNCVXAOCTLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S2/c1-9-10(2)17-8-7-14(9)18(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine?
4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine has a molecular weight of 350.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine is sourced from PubChem (CID 115634660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).