1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine

C14H21FN2O2S2 — CID 66384202

IUPAC1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H21FN2O2S2/c1-10(16)7-11-8-12(15)3-4-13(11)17-5-6-20-9-14(17)21(2,18)19/h3-4,8,10,14H,5-7,9,16H2,1-2H3
InChIKeyFNVLQNUMIJDRPS-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.64
Rot. Bonds4

About 1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine

1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine (PubChem CID 66384202) has the molecular formula C14H21FN2O2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
PubChem CID66384202
Molecular FormulaC14H21FN2O2S2
Molecular Weight332.47 g/mol
Exact Mass332.10
IUPAC Name1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H21FN2O2S2/c1-10(16)7-11-8-12(15)3-4-13(11)17-5-6-20-9-14(17)21(2,18)19/h3-4,8,10,14H,5-7,9,16H2,1-2H3
InChIKeyFNVLQNUMIJDRPS-UHFFFAOYSA-N
XLogP1.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861896
(1S)-1-[2-fluoro-6-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66383947
1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine
CID 80634904
1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
CID 66377712
1-[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66382401
[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 66372294
5-methylsulfonyl-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 66383352
[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 66383581
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 55236984
3-fluoro-N'-hydroxy-4-(3-methylsulfonylthiomorpholin-4-yl)benzenecarboximidamide
CID 77135830
[2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 66382144
2-(4-fluorophenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanamine
CID 66382953

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine (CID 66384202) is 1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine?
The InChIKey is FNVLQNUMIJDRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S2/c1-10(16)7-11-8-12(15)3-4-13(11)17-5-6-20-9-14(17)21(2,18)19/h3-4,8,10,14H,5-7,9,16H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine?
1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine has a molecular weight of 332.47 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 66384202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).