N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine

C15H23FN2O2S — CID 114507138

IUPACN,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2ccccc2F)CC1CC
InChIInChI=1S/C15H23FN2O2S/c1-3-12-11-18(10-9-14(12)17-4-2)21(19,20)15-8-6-5-7-13(15)16/h5-8,12,14,17H,3-4,9-11H2,1-2H3
InChIKeyPAHZMJWKBBHCJU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.22
Rot. Bonds5

About N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine

N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine (PubChem CID 114507138) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine
PubChem CID114507138
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2ccccc2F)CC1CC
InChIInChI=1S/C15H23FN2O2S/c1-3-12-11-18(10-9-14(12)17-4-2)21(19,20)15-8-6-5-7-13(15)16/h5-8,12,14,17H,3-4,9-11H2,1-2H3
InChIKeyPAHZMJWKBBHCJU-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 63169136
1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine
CID 114498922
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879448
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 114507294
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926572
N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581109
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine
CID 114507117
N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
CID 114507143
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine (CID 114507138) is N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine is CCNC1CCN(S(=O)(=O)c2ccccc2F)CC1CC.
What is the InChIKey of N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine?
The InChIKey is PAHZMJWKBBHCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-3-12-11-18(10-9-14(12)17-4-2)21(19,20)15-8-6-5-7-13(15)16/h5-8,12,14,17H,3-4,9-11H2,1-2H3.
What are the key properties of N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine?
N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine has a molecular weight of 314.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 114507138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).