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

C15H24N2O2S2 — CID 66384379

IUPACN-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C15H24N2O2S2/c1-3-16-10-13-6-4-5-7-14(13)11-17-8-9-20-12-15(17)21(2,18)19/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyYVDMWLGJASFVOT-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.72
Rot. Bonds6

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

N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 66384379) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine
PubChem CID66384379
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C15H24N2O2S2/c1-3-16-10-13-6-4-5-7-14(13)11-17-8-9-20-12-15(17)21(2,18)19/h4-7,15-16H,3,8-12H2,1-2H3
InChIKeyYVDMWLGJASFVOT-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 318454
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CID 2815708
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CID 3837112
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CID 45479974
CID 45479974
CID 3061417
CID 3061417
CID 17611687
CID 17611687
CID 44602030
CID 44602030
CID 45808942
CID 45808942
CID 47454552
CID 47454552
CID 72013754
CID 72013754
CID 75371689
CID 75371689
CID 75427836
CID 75427836

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine (CID 66384379) is N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1CN1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is YVDMWLGJASFVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-16-10-13-6-4-5-7-14(13)11-17-8-9-20-12-15(17)21(2,18)19/h4-7,15-16H,3,8-12H2,1-2H3.
What are the key properties of N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine?
N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 328.50 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 66384379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).