[1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

C11H19ClN2O3S2 — CID 119963889

IUPAC[1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)N1CCC(CN)CC1.Cl
InChIInChI=1S/C11H18N2O3S2.ClH/c1-16-10-4-7-17-11(10)18(14,15)13-5-2-9(8-12)3-6-13;/h4,7,9H,2-3,5-6,8,12H2,1H3;1H
InChIKeyAJKBQSUCLZUFFI-UHFFFAOYSA-N
MW326.87 g/mol
LogP1.54
Rot. Bonds4

About [1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

[1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (PubChem CID 119963889) has the molecular formula C11H19ClN2O3S2 and a molecular weight of 326.87 g/mol. Its IUPAC name is [1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
PubChem CID119963889
Molecular FormulaC11H19ClN2O3S2
Molecular Weight326.87 g/mol
Exact Mass326.05
IUPAC Name[1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)N1CCC(CN)CC1.Cl
InChIInChI=1S/C11H18N2O3S2.ClH/c1-16-10-4-7-17-11(10)18(14,15)13-5-2-9(8-12)3-6-13;/h4,7,9H,2-3,5-6,8,12H2,1H3;1H
InChIKeyAJKBQSUCLZUFFI-UHFFFAOYSA-N
XLogP1.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (CID 119963889) is [1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is COc1ccsc1S(=O)(=O)N1CCC(CN)CC1.Cl.
What is the InChIKey of [1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The InChIKey is AJKBQSUCLZUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2.ClH/c1-16-10-4-7-17-11(10)18(14,15)13-5-2-9(8-12)3-6-13;/h4,7,9H,2-3,5-6,8,12H2,1H3;1H.
What are the key properties of [1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
[1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxythiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119963889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).