N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine

C14H21FN2O3S — CID 102920370

IUPACN-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)cc1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C14H21FN2O3S/c1-3-16-9-12-4-5-13(15)8-14(12)21(18,19)17-6-7-20-10-11(17)2/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyAQTSZGCQOZNODM-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.34
Rot. Bonds5

About N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine

N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine (PubChem CID 102920370) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
PubChem CID102920370
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)cc1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C14H21FN2O3S/c1-3-16-9-12-4-5-13(15)8-14(12)21(18,19)17-6-7-20-10-11(17)2/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyAQTSZGCQOZNODM-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-3-(3-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43542006
N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 102920201
4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 79187452
N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
CID 102921045
1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine
CID 102921065
[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine
CID 102920372
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
CID 107326726
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186
N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine
CID 102920207
N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343552

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine (CID 102920370) is N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine is CCNCc1ccc(F)cc1S(=O)(=O)N1CCOCC1C.
What is the InChIKey of N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine?
The InChIKey is AQTSZGCQOZNODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-3-16-9-12-4-5-13(15)8-14(12)21(18,19)17-6-7-20-10-11(17)2/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine?
N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine has a molecular weight of 316.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine is sourced from PubChem (CID 102920370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).