1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine

C15H24N2O4S — CID 120710896

IUPAC1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine
SMILESCOc1cccc(OC)c1S(=O)(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C15H24N2O4S/c1-11(16)12-6-5-9-17(10-12)22(18,19)15-13(20-2)7-4-8-14(15)21-3/h4,7-8,11-12H,5-6,9-10,16H2,1-3H3
InChIKeyUZHIKIAGDQQWHN-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.45
Rot. Bonds5

About 1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine

1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine (PubChem CID 120710896) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine
PubChem CID120710896
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine
SMILESCOc1cccc(OC)c1S(=O)(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C15H24N2O4S/c1-11(16)12-6-5-9-17(10-12)22(18,19)15-13(20-2)7-4-8-14(15)21-3/h4,7-8,11-12H,5-6,9-10,16H2,1-3H3
InChIKeyUZHIKIAGDQQWHN-UHFFFAOYSA-N
XLogP1.45
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710861
1-[1-(2-methoxy-4-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 119984257
(1R)-1-[(3S)-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 129379188
(1S)-1-[(3S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124690297
(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124553884
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710901
1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
CID 119984364
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
1-[1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710910
methyl 3-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate
CID 119984570
1-[1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984478

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine (CID 120710896) is 1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine is COc1cccc(OC)c1S(=O)(=O)N1CCCC(C(C)N)C1.
What is the InChIKey of 1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine?
The InChIKey is UZHIKIAGDQQWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-11(16)12-6-5-9-17(10-12)22(18,19)15-13(20-2)7-4-8-14(15)21-3/h4,7-8,11-12H,5-6,9-10,16H2,1-3H3.
What are the key properties of 1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine?
1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine has a molecular weight of 328.43 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethoxyphenyl)sulfonylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 120710896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).