4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide

C17H26N2O3S — CID 3160566

IUPAC4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-14-5-7-16(8-6-14)23(21,22)18-11-3-4-17(20)19-12-9-15(2)10-13-19/h5-8,15,18H,3-4,9-13H2,1-2H3
InChIKeyYJPQPBAIIHOLRF-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.31
Rot. Bonds6

About 4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide

4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide (PubChem CID 3160566) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
PubChem CID3160566
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-14-5-7-16(8-6-14)23(21,22)18-11-3-4-17(20)19-12-9-15(2)10-13-19/h5-8,15,18H,3-4,9-13H2,1-2H3
InChIKeyYJPQPBAIIHOLRF-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 6457026
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3611644
4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920727
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9295871
6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
CID 139613522
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120818811
N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109059596
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-4-methylbenzenesulfonamide
CID 10069593
3-bromo-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 29262191

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide (CID 3160566) is 4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide?
The InChIKey is YJPQPBAIIHOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-5-7-16(8-6-14)23(21,22)18-11-3-4-17(20)19-12-9-15(2)10-13-19/h5-8,15,18H,3-4,9-13H2,1-2H3.
What are the key properties of 4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide?
4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide is sourced from PubChem (CID 3160566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).