2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine

C14H24N2O2S3 — CID 66383126

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CCSCC2S(=O)(=O)CC)s1
InChIInChI=1S/C14H24N2O2S3/c1-3-11-5-6-13(20-11)12(9-15)16-7-8-19-10-14(16)21(17,18)4-2/h5-6,12,14H,3-4,7-10,15H2,1-2H3
InChIKeyHTADOMBJVVQDNC-UHFFFAOYSA-N
MW348.56 g/mol
LogP2.12
Rot. Bonds6

About 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine

2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 66383126) has the molecular formula C14H24N2O2S3 and a molecular weight of 348.56 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine
PubChem CID66383126
Molecular FormulaC14H24N2O2S3
Molecular Weight348.56 g/mol
Exact Mass348.10
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CCSCC2S(=O)(=O)CC)s1
InChIInChI=1S/C14H24N2O2S3/c1-3-11-5-6-13(20-11)12(9-15)16-7-8-19-10-14(16)21(17,18)4-2/h5-6,12,14H,3-4,7-10,15H2,1-2H3
InChIKeyHTADOMBJVVQDNC-UHFFFAOYSA-N
XLogP2.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
CID 66383882
2-(5-bromothiophen-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
CID 66384487
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 66383878
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822366
3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381953
2-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylethanamine
CID 66381780
2-(2-cyclopentylpyrrolidin-1-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 62346451
1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
CID 66382331
methyl 3-amino-2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66381764
2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
CID 66382953
2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine
CID 66383124
2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
CID 66377959

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine (CID 66383126) is 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine is CCc1ccc(C(CN)N2CCSCC2S(=O)(=O)CC)s1.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is HTADOMBJVVQDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S3/c1-3-11-5-6-13(20-11)12(9-15)16-7-8-19-10-14(16)21(17,18)4-2/h5-6,12,14H,3-4,7-10,15H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine?
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 348.56 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 66383126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).