[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine

C12H17FN2O3S — CID 55171349

IUPAC[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
SMILESCC1CN(S(=O)(=O)c2ccc(F)c(CN)c2)CCO1
InChIInChI=1S/C12H17FN2O3S/c1-9-8-15(4-5-18-9)19(16,17)11-2-3-12(13)10(6-11)7-14/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyBYDNAKDRJNCSMG-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.69
Rot. Bonds3

About [2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine

[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine (PubChem CID 55171349) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is [2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
PubChem CID55171349
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
SMILESCC1CN(S(=O)(=O)c2ccc(F)c(CN)c2)CCO1
InChIInChI=1S/C12H17FN2O3S/c1-9-8-15(4-5-18-9)19(16,17)11-2-3-12(13)10(6-11)7-14/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyBYDNAKDRJNCSMG-UHFFFAOYSA-N
XLogP0.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
CID 104958532
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
CID 52985823
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
CID 28716694
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
2-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62986535
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CID 63288683
[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 28716722
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 63623393
3,5-difluoro-4-(2-methylmorpholin-4-yl)sulfonylaniline
CID 54888968
4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline
CID 43348538
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine (CID 55171349) is [2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine is CC1CN(S(=O)(=O)c2ccc(F)c(CN)c2)CCO1.
What is the InChIKey of [2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine?
The InChIKey is BYDNAKDRJNCSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-9-8-15(4-5-18-9)19(16,17)11-2-3-12(13)10(6-11)7-14/h2-3,6,9H,4-5,7-8,14H2,1H3.
What are the key properties of [2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine?
[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine has a molecular weight of 288.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 55171349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).