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

C17H26N2O3S — CID 3161026

IUPACN-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-18-23(21,22)16-7-4-15(5-8-16)6-9-17(20)19-12-10-14(2)11-13-19/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3
InChIKeyHQYHGSUATNWHKI-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.18
Rot. Bonds6

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

N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 3161026) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID3161026
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-18-23(21,22)16-7-4-15(5-8-16)6-9-17(20)19-12-10-14(2)11-13-19/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3
InChIKeyHQYHGSUATNWHKI-UHFFFAOYSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 3161026) is N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is HQYHGSUATNWHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-18-23(21,22)16-7-4-15(5-8-16)6-9-17(20)19-12-10-14(2)11-13-19/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3.
What are the key properties of N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 3161026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).