[4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine

C12H12FNOS2 — CID 81329556

IUPAC[4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1CS(=O)c1cccs1
InChIInChI=1S/C12H12FNOS2/c13-11-4-3-9(7-14)10(6-11)8-17(15)12-2-1-5-16-12/h1-6H,7-8,14H2
InChIKeyNPCCYYKHSIOTEL-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.65
Rot. Bonds4

About [4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine

[4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine (PubChem CID 81329556) has the molecular formula C12H12FNOS2 and a molecular weight of 269.37 g/mol. Its IUPAC name is [4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine
PubChem CID81329556
Molecular FormulaC12H12FNOS2
Molecular Weight269.37 g/mol
Exact Mass269.03
IUPAC Name[4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1CS(=O)c1cccs1
InChIInChI=1S/C12H12FNOS2/c13-11-4-3-9(7-14)10(6-11)8-17(15)12-2-1-5-16-12/h1-6H,7-8,14H2
InChIKeyNPCCYYKHSIOTEL-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-2-[(4-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328809
[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81329052
[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81333539
[2-[(4-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81328246
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
3-bromo-4-(thiophen-2-ylsulfinylmethyl)aniline
CID 61287616
[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine
CID 64763920
4-(thiophen-2-ylsulfinylmethyl)-3-(trifluoromethyl)aniline
CID 81116978
[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81329605
[2-[(2-bromophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81328755
[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328070
4-chloro-2-(thiophen-2-ylsulfinylmethyl)aniline
CID 79582643

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine (CID 81329556) is [4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine is NCc1ccc(F)cc1CS(=O)c1cccs1.
What is the InChIKey of [4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine?
The InChIKey is NPCCYYKHSIOTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS2/c13-11-4-3-9(7-14)10(6-11)8-17(15)12-2-1-5-16-12/h1-6H,7-8,14H2.
What are the key properties of [4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine?
[4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine is sourced from PubChem (CID 81329556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).