2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine

C15H24N2O2S2 — CID 66377959

IUPAC2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
SMILESCCS(=O)(=O)C1CSCCN1Cc1ccc(CCN)cc1
InChIInChI=1S/C15H24N2O2S2/c1-2-21(18,19)15-12-20-10-9-17(15)11-14-5-3-13(4-6-14)7-8-16/h3-6,15H,2,7-12,16H2,1H3
InChIKeyZMPIPFNAOWIXPZ-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.50
Rot. Bonds6

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

2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine (PubChem CID 66377959) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
PubChem CID66377959
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
SMILESCCS(=O)(=O)C1CSCCN1Cc1ccc(CCN)cc1
InChIInChI=1S/C15H24N2O2S2/c1-2-21(18,19)15-12-20-10-9-17(15)11-14-5-3-13(4-6-14)7-8-16/h3-6,15H,2,7-12,16H2,1H3
InChIKeyZMPIPFNAOWIXPZ-UHFFFAOYSA-N
XLogP1.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-bromophenyl)methyl]-3-ethylsulfonylthiomorpholine
CID 66378295
2-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]ethanamine
CID 66377941
5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
CID 66378491
4-[(4-iodophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 66383011
[2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 66382144
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline
CID 66384075
4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-N-methylpyridin-2-amine
CID 66377913
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylsulfonylthiomorpholine
CID 66378095
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
CID 66376993
5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine
CID 104682301
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one
CID 66378285

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine (CID 66377959) is 2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine is CCS(=O)(=O)C1CSCCN1Cc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine?
The InChIKey is ZMPIPFNAOWIXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-2-21(18,19)15-12-20-10-9-17(15)11-14-5-3-13(4-6-14)7-8-16/h3-6,15H,2,7-12,16H2,1H3.
What are the key properties of 2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine?
2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine has a molecular weight of 328.50 g/mol, XLogP of 1.50, 6 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)methyl]phenyl]ethanamine is sourced from PubChem (CID 66377959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).