[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride

C14H22ClFN2O3S — CID 120718980

IUPAC[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(S(=O)(=O)c2cc(F)ccc2C)C(CN)C1.Cl
InChIInChI=1S/C14H21FN2O3S.ClH/c1-10-3-4-11(15)7-14(10)21(18,19)17-6-5-13(20-2)8-12(17)9-16;/h3-4,7,12-13H,5-6,8-9,16H2,1-2H3;1H
InChIKeyADRNVQUKGSSHLN-UHFFFAOYSA-N
MW352.86 g/mol
LogP1.68
Rot. Bonds4

About [1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride

[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride (PubChem CID 120718980) has the molecular formula C14H22ClFN2O3S and a molecular weight of 352.86 g/mol. Its IUPAC name is [1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
PubChem CID120718980
Molecular FormulaC14H22ClFN2O3S
Molecular Weight352.86 g/mol
Exact Mass352.10
IUPAC Name[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(S(=O)(=O)c2cc(F)ccc2C)C(CN)C1.Cl
InChIInChI=1S/C14H21FN2O3S.ClH/c1-10-3-4-11(15)7-14(10)21(18,19)17-6-5-13(20-2)8-12(17)9-16;/h3-4,7,12-13H,5-6,8-9,16H2,1-2H3;1H
InChIKeyADRNVQUKGSSHLN-UHFFFAOYSA-N
XLogP1.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride (CID 120718980) is [1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride is COC1CCN(S(=O)(=O)c2cc(F)ccc2C)C(CN)C1.Cl.
What is the InChIKey of [1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is ADRNVQUKGSSHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S.ClH/c1-10-3-4-11(15)7-14(10)21(18,19)17-6-5-13(20-2)8-12(17)9-16;/h3-4,7,12-13H,5-6,8-9,16H2,1-2H3;1H.
What are the key properties of [1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120718980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).