N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine

C15H23FN2O2S — CID 102920201

IUPACN-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H23FN2O2S/c1-3-17-11-13-4-5-14(16)10-15(13)21(19,20)18-8-6-12(2)7-9-18/h4-5,10,12,17H,3,6-9,11H2,1-2H3
InChIKeyJIBNWEQYMLHHND-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.36
Rot. Bonds5

About N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine

N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine (PubChem CID 102920201) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
PubChem CID102920201
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C15H23FN2O2S/c1-3-17-11-13-4-5-14(16)10-15(13)21(19,20)18-8-6-12(2)7-9-18/h4-5,10,12,17H,3,6-9,11H2,1-2H3
InChIKeyJIBNWEQYMLHHND-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
CID 102921045
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-3-methylpyrrolidine
CID 102920059
N-[[1-(2-bromo-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990532
N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
CID 102920370
N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine
CID 102920207
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27241519
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810
N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 102920286
1-[4-fluoro-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 102920281
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592825

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine (CID 102920201) is N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine is CCNCc1ccc(F)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The InChIKey is JIBNWEQYMLHHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-3-17-11-13-4-5-14(16)10-15(13)21(19,20)18-8-6-12(2)7-9-18/h4-5,10,12,17H,3,6-9,11H2,1-2H3.
What are the key properties of N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine?
N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine has a molecular weight of 314.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine is sourced from PubChem (CID 102920201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).