[4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine

C12H16F2N2O3S — CID 81217308

IUPAC[4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O3S/c1-8-7-19-9(5-15)6-16(8)20(17,18)10-2-3-11(13)12(14)4-10/h2-4,8-9H,5-7,15H2,1H3
InChIKeyAYSVNKKADXFZRP-UHFFFAOYSA-N
MW306.33 g/mol
LogP0.70
Rot. Bonds3

About [4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine

[4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine (PubChem CID 81217308) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
PubChem CID81217308
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name[4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O3S/c1-8-7-19-9(5-15)6-16(8)20(17,18)10-2-3-11(13)12(14)4-10/h2-4,8-9H,5-7,15H2,1H3
InChIKeyAYSVNKKADXFZRP-UHFFFAOYSA-N
XLogP0.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholine
CID 81211764
[4-(2,5-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81218450
2-(bromomethyl)-4-(4-fluorophenyl)sulfonyl-5-methylmorpholine
CID 81212012
[4-(3-amino-5-fluoro-4-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 116792040
2-(aminomethyl)-5-methylmorpholine-4-sulfonamide
CID 114959630
[5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine
CID 102694127
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[4-(difluoromethylsulfonyl)-5-methylmorpholin-2-yl]methanamine
CID 81216979
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79186896
4-(3-bromophenyl)sulfonyl-2-(chloromethyl)-5-methylmorpholine
CID 81211858
2-(bromomethyl)-4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholine
CID 81212099

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine (CID 81217308) is [4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine is CC1COC(CN)CN1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of [4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine?
The InChIKey is AYSVNKKADXFZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-8-7-19-9(5-15)6-16(8)20(17,18)10-2-3-11(13)12(14)4-10/h2-4,8-9H,5-7,15H2,1H3.
What are the key properties of [4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine?
[4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine has a molecular weight of 306.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 81217308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).