1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine

C13H20N2O4S — CID 28804129

IUPAC1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1OC
InChIInChI=1S/C13H20N2O4S/c1-18-12-4-3-11(9-13(12)19-2)20(16,17)15-7-5-10(14)6-8-15/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyLGRLHLSVCDZSFS-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.82
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine

1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine (PubChem CID 28804129) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine
PubChem CID28804129
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1OC
InChIInChI=1S/C13H20N2O4S/c1-18-12-4-3-11(9-13(12)19-2)20(16,17)15-7-5-10(14)6-8-15/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyLGRLHLSVCDZSFS-UHFFFAOYSA-N
XLogP0.82
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine (CID 28804129) is 1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine is COc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine?
The InChIKey is LGRLHLSVCDZSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-18-12-4-3-11(9-13(12)19-2)20(16,17)15-7-5-10(14)6-8-15/h3-4,9-10H,5-8,14H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine?
1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine has a molecular weight of 300.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 28804129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).