[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine

C15H23FN2O2S — CID 83052838

IUPAC[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cccc(F)c1CN
InChIInChI=1S/C15H23FN2O2S/c1-2-6-12-7-3-4-10-18(12)21(19,20)15-9-5-8-14(16)13(15)11-17/h5,8-9,12H,2-4,6-7,10-11,17H2,1H3
InChIKeyGIZQNXICWCKCLO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.63
Rot. Bonds5

About [2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine

[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 83052838) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is [2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID83052838
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cccc(F)c1CN
InChIInChI=1S/C15H23FN2O2S/c1-2-6-12-7-3-4-10-18(12)21(19,20)15-9-5-8-14(16)13(15)11-17/h5,8-9,12H,2-4,6-7,10-11,17H2,1H3
InChIKeyGIZQNXICWCKCLO-UHFFFAOYSA-N
XLogP2.63
TPSA63.40 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine
CID 65319473
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783
[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83053469
[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 103495203
N-methyl-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83062064
[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
CID 104689604
2-(bromomethyl)-1-(2-fluorophenyl)sulfonylazepane
CID 116639734
[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine
CID 102883116
3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053033
2-(3-bromopropyl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 80674099
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
CID 43579020

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 83052838) is [2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine is CCCC1CCCCN1S(=O)(=O)c1cccc(F)c1CN.
What is the InChIKey of [2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is GIZQNXICWCKCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-2-6-12-7-3-4-10-18(12)21(19,20)15-9-5-8-14(16)13(15)11-17/h5,8-9,12H,2-4,6-7,10-11,17H2,1H3.
What are the key properties of [2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 314.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 83052838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).