4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide

C18H28N2O3S — CID 653436

IUPAC4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-3-12-19-24(22,23)17-7-4-16(5-8-17)6-9-18(21)20-13-10-15(2)11-14-20/h4-5,7-8,15,19H,3,6,9-14H2,1-2H3
InChIKeyFNIJIDQSQNRNBJ-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.57
Rot. Bonds7

About 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide

4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide (PubChem CID 653436) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide
PubChem CID653436
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-3-12-19-24(22,23)17-7-4-16(5-8-17)6-9-18(21)20-13-10-15(2)11-14-20/h4-5,7-8,15,19H,3,6,9-14H2,1-2H3
InChIKeyFNIJIDQSQNRNBJ-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide (CID 653436) is 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide?
The InChIKey is FNIJIDQSQNRNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-3-12-19-24(22,23)17-7-4-16(5-8-17)6-9-18(21)20-13-10-15(2)11-14-20/h4-5,7-8,15,19H,3,6,9-14H2,1-2H3.
What are the key properties of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide?
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 653436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).