2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine

C13H18Cl2N2O2S2 — CID 66383925

IUPAC2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
SMILESCS(=O)(=O)C1CSCCN1C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2S2/c1-21(18,19)13-8-20-5-4-17(13)12(7-16)9-2-3-10(14)11(15)6-9/h2-3,6,12-13H,4-5,7-8,16H2,1H3
InChIKeyFPCOUSAQNGGONR-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.41
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine

2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine (PubChem CID 66383925) has the molecular formula C13H18Cl2N2O2S2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
PubChem CID66383925
Molecular FormulaC13H18Cl2N2O2S2
Molecular Weight369.34 g/mol
Exact Mass368.02
IUPAC Name2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
SMILESCS(=O)(=O)C1CSCCN1C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2S2/c1-21(18,19)13-8-20-5-4-17(13)12(7-16)9-2-3-10(14)11(15)6-9/h2-3,6,12-13H,4-5,7-8,16H2,1H3
InChIKeyFPCOUSAQNGGONR-UHFFFAOYSA-N
XLogP2.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
CID 81148474
2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
CID 66382953
2-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylethanamine
CID 66381780
2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
CID 66384487
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
CID 66383882
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822366
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 66383878
2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881976
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66382570
2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 62330318
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 66383126
1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine
CID 66382944

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine (CID 66383925) is 2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine is CS(=O)(=O)C1CSCCN1C(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
The InChIKey is FPCOUSAQNGGONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S2/c1-21(18,19)13-8-20-5-4-17(13)12(7-16)9-2-3-10(14)11(15)6-9/h2-3,6,12-13H,4-5,7-8,16H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine?
2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine has a molecular weight of 369.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 66383925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).