[1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine

C14H20F2N2O2S — CID 103352759

IUPAC[1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(S(=O)(=O)c2cc(F)ccc2F)C(CN)C1
InChIInChI=1S/C14H20F2N2O2S/c1-2-10-5-6-18(12(7-10)9-17)21(19,20)14-8-11(15)3-4-13(14)16/h3-4,8,10,12H,2,5-7,9,17H2,1H3
InChIKeyQOQBTRKQPWTEHZ-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.10
Rot. Bonds4

About [1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine

[1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103352759) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is [1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
PubChem CID103352759
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name[1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(S(=O)(=O)c2cc(F)ccc2F)C(CN)C1
InChIInChI=1S/C14H20F2N2O2S/c1-2-10-5-6-18(12(7-10)9-17)21(19,20)14-8-11(15)3-4-13(14)16/h3-4,8,10,12H,2,5-7,9,17H2,1H3
InChIKeyQOQBTRKQPWTEHZ-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441489
[1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
CID 103352807
[4-ethyl-1-(4-ethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103352699
[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718980
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 63397513
2-(2-bromoethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 80671795
(1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine
CID 103352691
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylazepane
CID 116639751
2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine
CID 64645336
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine (CID 103352759) is [1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(S(=O)(=O)c2cc(F)ccc2F)C(CN)C1.
What is the InChIKey of [1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is QOQBTRKQPWTEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-2-10-5-6-18(12(7-10)9-17)21(19,20)14-8-11(15)3-4-13(14)16/h3-4,8,10,12H,2,5-7,9,17H2,1H3.
What are the key properties of [1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine?
[1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 318.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103352759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).