2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine

C15H24N2O2S2 — CID 66377941

IUPAC2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine
SMILESCCS(=O)(=O)C1CSCCN1c1ccc(CCN)cc1C
InChIInChI=1S/C15H24N2O2S2/c1-3-21(18,19)15-11-20-9-8-17(15)14-5-4-13(6-7-16)10-12(14)2/h4-5,10,15H,3,6-9,11,16H2,1-2H3
InChIKeyXKTJCDNEJYAHQF-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.81
Rot. Bonds5

About 2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine

2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine (PubChem CID 66377941) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine
PubChem CID66377941
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine
SMILESCCS(=O)(=O)C1CSCCN1c1ccc(CCN)cc1C
InChIInChI=1S/C15H24N2O2S2/c1-3-21(18,19)15-11-20-9-8-17(15)14-5-4-13(6-7-16)10-12(14)2/h4-5,10,15H,3,6-9,11,16H2,1-2H3
InChIKeyXKTJCDNEJYAHQF-UHFFFAOYSA-N
XLogP1.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(bromomethyl)-2-methylphenyl]-3-ethylsulfonylthiomorpholine
CID 107084326
[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]methanol
CID 66378089
2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
CID 66377959
[5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 114889729
1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]-N-methylmethanamine
CID 66377518
1-[5-chloro-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 114852258
2-(3-ethylsulfonylthiomorpholin-4-yl)aniline
CID 66383708
2-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylbenzonitrile
CID 107927610
1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone
CID 66384669
1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
CID 66377712
4-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)benzenecarbothioamide
CID 114903334
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine (CID 66377941) is 2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine is CCS(=O)(=O)C1CSCCN1c1ccc(CCN)cc1C.
What is the InChIKey of 2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine?
The InChIKey is XKTJCDNEJYAHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-21(18,19)15-11-20-9-8-17(15)14-5-4-13(6-7-16)10-12(14)2/h4-5,10,15H,3,6-9,11,16H2,1-2H3.
What are the key properties of 2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine?
2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine has a molecular weight of 328.50 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine is sourced from PubChem (CID 66377941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).