3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide

C15H23N3O3S — CID 24588735

IUPAC3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-12-6-9-18(10-7-12)11-8-15(19)17-13-2-4-14(5-3-13)22(16,20)21/h2-5,12H,6-11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyJXKWIINSAIDBMM-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.39
Rot. Bonds5

About 3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide

3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 24588735) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID24588735
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-12-6-9-18(10-7-12)11-8-15(19)17-13-2-4-14(5-3-13)22(16,20)21/h2-5,12H,6-11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyJXKWIINSAIDBMM-UHFFFAOYSA-N
XLogP1.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide (CID 24588735) is 3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide is CC1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is JXKWIINSAIDBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-6-9-18(10-7-12)11-8-15(19)17-13-2-4-14(5-3-13)22(16,20)21/h2-5,12H,6-11H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 325.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24588735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).