1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

C19H27ClN2O3S — CID 119975042

IUPAC1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)c2ccccc12.Cl
InChIInChI=1S/C19H26N2O3S.ClH/c1-3-24-18-8-9-19(17-7-5-4-6-16(17)18)25(22,23)21-12-10-15(11-13-21)14(2)20;/h4-9,14-15H,3,10-13,20H2,1-2H3;1H
InChIKeyCFNFGQOVDYSGIT-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.41
Rot. Bonds5

About 1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119975042) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is 1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
PubChem CID119975042
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)c2ccccc12.Cl
InChIInChI=1S/C19H26N2O3S.ClH/c1-3-24-18-8-9-19(17-7-5-4-6-16(17)18)25(22,23)21-12-10-15(11-13-21)14(2)20;/h4-9,14-15H,3,10-13,20H2,1-2H3;1H
InChIKeyCFNFGQOVDYSGIT-UHFFFAOYSA-N
XLogP3.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (CID 119975042) is 1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is CCOc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)c2ccccc12.Cl.
What is the InChIKey of 1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is CFNFGQOVDYSGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S.ClH/c1-3-24-18-8-9-19(17-7-5-4-6-16(17)18)25(22,23)21-12-10-15(11-13-21)14(2)20;/h4-9,14-15H,3,10-13,20H2,1-2H3;1H.
What are the key properties of 1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 398.96 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119975042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).