4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide

C17H27N3O3S — CID 109014333

IUPAC4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-14-8-12-20(13-9-14)17(21)7-11-19-10-6-15-2-4-16(5-3-15)24(18,22)23/h2-5,14,19H,6-13H2,1H3,(H2,18,22,23)
InChIKeyLUDXQEBLQLLBIJ-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.11
Rot. Bonds7

About 4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide

4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide (PubChem CID 109014333) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide
PubChem CID109014333
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-14-8-12-20(13-9-14)17(21)7-11-19-10-6-15-2-4-16(5-3-15)24(18,22)23/h2-5,14,19H,6-13H2,1H3,(H2,18,22,23)
InChIKeyLUDXQEBLQLLBIJ-UHFFFAOYSA-N
XLogP1.11
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014322
3-[(4-methylphenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014305
N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 134008436
3-[2-(4-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109028026
N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3611644
3-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014364
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 108964998
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171995786
4-methyl-N-(4-sulfamoylphenyl)piperidine-1-carbothioamide
CID 3261166
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide (CID 109014333) is 4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide is CC1CCN(C(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide?
The InChIKey is LUDXQEBLQLLBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14-8-12-20(13-9-14)17(21)7-11-19-10-6-15-2-4-16(5-3-15)24(18,22)23/h2-5,14,19H,6-13H2,1H3,(H2,18,22,23).
What are the key properties of 4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide?
4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 109014333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).