2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine

C13H19NO2S2 — CID 115671977

IUPAC2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine
SMILESCc1ccccc1S(=O)(=O)N1CCSC(C)C1C
InChIInChI=1S/C13H19NO2S2/c1-10-6-4-5-7-13(10)18(15,16)14-8-9-17-12(3)11(14)2/h4-7,11-12H,8-9H2,1-3H3
InChIKeyLSOLFKQNNWSCDA-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.51
Rot. Bonds2

About 2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine

2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine (PubChem CID 115671977) has the molecular formula C13H19NO2S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine.

Molecular Properties

Compound Name2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine
PubChem CID115671977
Molecular FormulaC13H19NO2S2
Molecular Weight285.43 g/mol
Exact Mass285.09
IUPAC Name2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine
SMILESCc1ccccc1S(=O)(=O)N1CCSC(C)C1C
InChIInChI=1S/C13H19NO2S2/c1-10-6-4-5-7-13(10)18(15,16)14-8-9-17-12(3)11(14)2/h4-7,11-12H,8-9H2,1-3H3
InChIKeyLSOLFKQNNWSCDA-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)sulfonyl-2,3-dimethylthiomorpholine
CID 115634660
4-[2-bromo-5-(chloromethyl)-3-methylphenyl]sulfonyl-2,3-dimethylthiomorpholine
CID 114363719
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine
CID 107070797
5-(2,3-dimethylthiomorpholin-4-yl)sulfonylthiophene-2-carbonitrile
CID 106269142
4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
CID 113238157
1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine
CID 102921065
[4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine
CID 102704762
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
CID 113238159
4-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-2,3-dimethylthiomorpholine
CID 107091117
(2R)-1-(2-methylphenyl)sulfonyl-2-thiophen-2-ylazepane
CID 92502924

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine?
The IUPAC name of 2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine (CID 115671977) is 2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine.
What is the SMILES notation for 2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine?
The canonical SMILES for 2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine is Cc1ccccc1S(=O)(=O)N1CCSC(C)C1C.
What is the InChIKey of 2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine?
The InChIKey is LSOLFKQNNWSCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S2/c1-10-6-4-5-7-13(10)18(15,16)14-8-9-17-12(3)11(14)2/h4-7,11-12H,8-9H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine?
2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine has a molecular weight of 285.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(2-methylphenyl)sulfonylthiomorpholine is sourced from PubChem (CID 115671977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).