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

C13H18F2N2O2S — CID 103441489

IUPAC[1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cc(F)ccc2F)C(CN)C1
InChIInChI=1S/C13H18F2N2O2S/c1-9-4-5-17(11(6-9)8-16)20(18,19)13-7-10(14)2-3-12(13)15/h2-3,7,9,11H,4-6,8,16H2,1H3
InChIKeyJNNJXMQSRIHPHZ-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.71
Rot. Bonds3

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

[1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine (PubChem CID 103441489) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is [1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
PubChem CID103441489
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name[1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cc(F)ccc2F)C(CN)C1
InChIInChI=1S/C13H18F2N2O2S/c1-9-4-5-17(11(6-9)8-16)20(18,19)13-7-10(14)2-3-12(13)15/h2-3,7,9,11H,4-6,8,16H2,1H3
InChIKeyJNNJXMQSRIHPHZ-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-difluorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
CID 103352759
[1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 107650207
5-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-2-fluorobenzonitrile
CID 103441561
[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718980
[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441530
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 63397513
2-(2-bromoethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 80671795
[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103441467
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783740

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine (CID 103441489) is [1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine is CC1CCN(S(=O)(=O)c2cc(F)ccc2F)C(CN)C1.
What is the InChIKey of [1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine?
The InChIKey is JNNJXMQSRIHPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-9-4-5-17(11(6-9)8-16)20(18,19)13-7-10(14)2-3-12(13)15/h2-3,7,9,11H,4-6,8,16H2,1H3.
What are the key properties of [1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine?
[1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine has a molecular weight of 304.36 g/mol, XLogP of 1.71, 3 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-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103441489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).