4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide

C18H28N2O3S — CID 1090424

IUPAC4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-14(2)19-24(22,23)17-7-4-16(5-8-17)6-9-18(21)20-12-10-15(3)11-13-20/h4-5,7-8,14-15,19H,6,9-13H2,1-3H3
InChIKeyMWBFHJAJDBRWRY-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.56
Rot. Bonds6

About 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide

4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 1090424) 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-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID1090424
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-14(2)19-24(22,23)17-7-4-16(5-8-17)6-9-18(21)20-12-10-15(3)11-13-20/h4-5,7-8,14-15,19H,6,9-13H2,1-3H3
InChIKeyMWBFHJAJDBRWRY-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.56
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-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide (CID 1090424) is 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide is CC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is MWBFHJAJDBRWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14(2)19-24(22,23)17-7-4-16(5-8-17)6-9-18(21)20-12-10-15(3)11-13-20/h4-5,7-8,14-15,19H,6,9-13H2,1-3H3.
What are the key properties of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide?
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.56, 6 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1090424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).