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

C19H30N2O3S — CID 134008436

IUPACN,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-4-21(5-2)25(23,24)18-9-6-17(7-10-18)8-11-19(22)20-14-12-16(3)13-15-20/h6-7,9-10,16H,4-5,8,11-15H2,1-3H3
InChIKeyHJTUVHSRTHMBDC-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.91
Rot. Bonds7

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

N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 134008436) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID134008436
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-4-21(5-2)25(23,24)18-9-6-17(7-10-18)8-11-19(22)20-14-12-16(3)13-15-20/h6-7,9-10,16H,4-5,8,11-15H2,1-3H3
InChIKeyHJTUVHSRTHMBDC-UHFFFAOYSA-N
XLogP2.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55662128
N,N-diethyl-4-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119577479
N,N-diethyl-4-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119489192
(2S)-1-[3-[4-(diethylsulfamoyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119365115
N,N-diethyl-4-[3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 27825980
N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3611644
N,N-diethyl-4-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119649553
3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 110749751
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558337
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55690819
4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide
CID 109014333
N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide
CID 5173746

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 134008436) is N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is HJTUVHSRTHMBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-21(5-2)25(23,24)18-9-6-17(7-10-18)8-11-19(22)20-14-12-16(3)13-15-20/h6-7,9-10,16H,4-5,8,11-15H2,1-3H3.
What are the key properties of N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 134008436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).