1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine

C15H23FN2O2S — CID 79179008

IUPAC1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(CNC)cc1F
InChIInChI=1S/C15H23FN2O2S/c1-3-13-6-4-5-9-18(13)21(19,20)15-8-7-12(11-17-2)10-14(15)16/h7-8,10,13,17H,3-6,9,11H2,1-2H3
InChIKeyHBEHSOBMYIWIRC-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.50
Rot. Bonds5

About 1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine

1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine (PubChem CID 79179008) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine
PubChem CID79179008
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(CNC)cc1F
InChIInChI=1S/C15H23FN2O2S/c1-3-13-6-4-5-9-18(13)21(19,20)15-8-7-12(11-17-2)10-14(15)16/h7-8,10,13,17H,3-6,9,11H2,1-2H3
InChIKeyHBEHSOBMYIWIRC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)piperidine
CID 116530001
1-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990956
1-[4-(4-ethylpiperazin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine
CID 79178993
[3-bromo-4-(2-ethylazepan-1-yl)sulfonylphenyl]methanol
CID 104692826
2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 63397673
1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine
CID 79187601
2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 60957878
1-[1-[4-(aminomethyl)-2-fluorophenyl]sulfonylpyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 79179850
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354
1-[3-fluoro-4-(1,4-thiazepan-4-ylsulfonyl)phenyl]-N-methylmethanamine
CID 79189769
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine (CID 79179008) is 1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine is CCC1CCCCN1S(=O)(=O)c1ccc(CNC)cc1F.
What is the InChIKey of 1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is HBEHSOBMYIWIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-3-13-6-4-5-9-18(13)21(19,20)15-8-7-12(11-17-2)10-14(15)16/h7-8,10,13,17H,3-6,9,11H2,1-2H3.
What are the key properties of 1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine?
1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 314.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 79179008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).