3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide

C19H24N2O4S — CID 25044564

IUPAC3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide
SMILESCCCNS(=O)(=O)C1=C(N2CCC(C)CC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O4S/c1-3-10-20-26(24,25)19-16(21-11-8-13(2)9-12-21)17(22)14-6-4-5-7-15(14)18(19)23/h4-7,13,20H,3,8-12H2,1-2H3
InChIKeyGQOGDSJUZVUBOA-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.34
Rot. Bonds5

About 3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide

3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide (PubChem CID 25044564) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide
PubChem CID25044564
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide
SMILESCCCNS(=O)(=O)C1=C(N2CCC(C)CC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O4S/c1-3-10-20-26(24,25)19-16(21-11-8-13(2)9-12-21)17(22)14-6-4-5-7-15(14)18(19)23/h4-7,13,20H,3,8-12H2,1-2H3
InChIKeyGQOGDSJUZVUBOA-UHFFFAOYSA-N
XLogP2.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide (CID 25044564) is 3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide is CCCNS(=O)(=O)C1=C(N2CCC(C)CC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide?
The InChIKey is GQOGDSJUZVUBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-10-20-26(24,25)19-16(21-11-8-13(2)9-12-21)17(22)14-6-4-5-7-15(14)18(19)23/h4-7,13,20H,3,8-12H2,1-2H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide?
3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide is sourced from PubChem (CID 25044564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).