N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide

C19H32N2O3S — CID 18141505

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(C)(C)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H32N2O3S/c1-6-7-17-8-10-18(11-9-17)25(22,23)20-14-19(4,5)21-12-15(2)24-16(3)13-21/h8-11,15-16,20H,6-7,12-14H2,1-5H3
InChIKeyVSWABTGXTCYBIO-UHFFFAOYSA-N
MW368.54 g/mol
LogP2.81
Rot. Bonds7

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide (PubChem CID 18141505) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide
PubChem CID18141505
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(C)(C)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H32N2O3S/c1-6-7-17-8-10-18(11-9-17)25(22,23)20-14-19(4,5)21-12-15(2)24-16(3)13-21/h8-11,15-16,20H,6-7,12-14H2,1-5H3
InChIKeyVSWABTGXTCYBIO-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide
CID 51169466
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823099
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646172
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-4-methylsulfonylbenzamide
CID 29297040
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51654985
(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536013
4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 25325612
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504851
N-iodo-4-propylbenzenesulfonamide
CID 143564822

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide (CID 18141505) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC(C)(C)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide?
The InChIKey is VSWABTGXTCYBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-6-7-17-8-10-18(11-9-17)25(22,23)20-14-19(4,5)21-12-15(2)24-16(3)13-21/h8-11,15-16,20H,6-7,12-14H2,1-5H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide has a molecular weight of 368.54 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 18141505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).