[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine

C12H18N2O2S2 — CID 66372294

IUPAC[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
SMILESCS(=O)(=O)C1CSCCN1c1ccccc1CN
InChIInChI=1S/C12H18N2O2S2/c1-18(15,16)12-9-17-7-6-14(12)11-5-3-2-4-10(11)8-13/h2-5,12H,6-9,13H2,1H3
InChIKeyLFSLYFKZWLUZBZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.07
Rot. Bonds3

About [2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine

[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine (PubChem CID 66372294) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is [2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
PubChem CID66372294
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
SMILESCS(=O)(=O)C1CSCCN1c1ccccc1CN
InChIInChI=1S/C12H18N2O2S2/c1-18(15,16)12-9-17-7-6-14(12)11-5-3-2-4-10(11)8-13/h2-5,12H,6-9,13H2,1H3
InChIKeyLFSLYFKZWLUZBZ-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 66383581
1-[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66382401
2-(3-ethylsulfonylthiomorpholin-4-yl)aniline
CID 66383708
3-(3-methylsulfonylthiomorpholin-4-yl)-2-nitroaniline
CID 80850470
(1S)-1-[2-fluoro-6-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66383947
5-methylsulfonyl-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 66383352
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
4-[3-(chloromethyl)-4-pyridinyl]-3-methylsulfonylthiomorpholine
CID 81233805
4-amino-2-(3-methylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66382315
4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 113315817
1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 66384202
[5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 114889729

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine (CID 66372294) is [2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine is CS(=O)(=O)C1CSCCN1c1ccccc1CN.
What is the InChIKey of [2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine?
The InChIKey is LFSLYFKZWLUZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-18(15,16)12-9-17-7-6-14(12)11-5-3-2-4-10(11)8-13/h2-5,12H,6-9,13H2,1H3.
What are the key properties of [2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine?
[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine has a molecular weight of 286.42 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 66372294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).