1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine

C12H17FN2O3S — CID 79187601

IUPAC1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C12H17FN2O3S/c1-14-9-10-2-3-12(11(13)8-10)19(16,17)15-4-6-18-7-5-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyYAFMMKSIAVNTBW-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.57
Rot. Bonds4

About 1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine

1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine (PubChem CID 79187601) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine
PubChem CID79187601
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C12H17FN2O3S/c1-14-9-10-2-3-12(11(13)8-10)19(16,17)15-4-6-18-7-5-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyYAFMMKSIAVNTBW-UHFFFAOYSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethylpiperazin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine
CID 79178993
1-[3,4-difluoro-5-(1,4-oxazepan-4-ylsulfonyl)phenyl]-N-methylmethanamine
CID 105121814
1-[3-fluoro-4-(1,4-thiazepan-4-ylsulfonyl)phenyl]-N-methylmethanamine
CID 79189769
[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol
CID 79187528
(3-fluoro-4-morpholin-4-ylsulfonylphenyl)boronic acid
CID 91759416
1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine
CID 79179008
2-fluoro-4-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 106072492
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 9303699
1-[4-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317194
3-[(4-fluoro-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile
CID 78840350
2-fluoro-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 106016517
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine (CID 79187601) is 1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine is CNCc1ccc(S(=O)(=O)N2CCOCC2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine?
The InChIKey is YAFMMKSIAVNTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-14-9-10-2-3-12(11(13)8-10)19(16,17)15-4-6-18-7-5-15/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine?
1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine has a molecular weight of 288.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine is sourced from PubChem (CID 79187601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).