N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide

C17H28N2O3S — CID 51169466

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C17H28N2O3S/c1-4-5-15-6-8-16(9-7-15)23(20,21)18-14-17(2,3)19-10-12-22-13-11-19/h6-9,18H,4-5,10-14H2,1-3H3
InChIKeyQUIMEHHEVPZHFJ-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.03
Rot. Bonds7

About N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide

N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide (PubChem CID 51169466) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide
PubChem CID51169466
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C17H28N2O3S/c1-4-5-15-6-8-16(9-7-15)23(20,21)18-14-17(2,3)19-10-12-22-13-11-19/h6-9,18H,4-5,10-14H2,1-3H3
InChIKeyQUIMEHHEVPZHFJ-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide
CID 18141505
3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
CID 4798669
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504851
N-[2-methoxy-5-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]phenyl]acetamide
CID 8797558
3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide
CID 61072491
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111313842
1-acetyl-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 55509064
4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid
CID 45412722
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
CID 8844499
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-4-propylbenzenesulfonamide
CID 11373211

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide (CID 51169466) is N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)cc1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide?
The InChIKey is QUIMEHHEVPZHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-4-5-15-6-8-16(9-7-15)23(20,21)18-14-17(2,3)19-10-12-22-13-11-19/h6-9,18H,4-5,10-14H2,1-3H3.
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 51169466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).