N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide

C14H22N2O3S — CID 103548867

IUPACN-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2COCCN2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-3-12-4-6-14(7-5-12)20(17,18)16-10-13-11-19-9-8-15-13/h4-7,13,15-16H,2-3,8-11H2,1H3
InChIKeyBJUWVQJHZNPELK-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.91
Rot. Bonds6

About N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide

N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide (PubChem CID 103548867) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
PubChem CID103548867
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2COCCN2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-3-12-4-6-14(7-5-12)20(17,18)16-10-13-11-19-9-8-15-13/h4-7,13,15-16H,2-3,8-11H2,1H3
InChIKeyBJUWVQJHZNPELK-UHFFFAOYSA-N
XLogP0.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548799
1-morpholin-3-yl-N-[(4-propylphenyl)methyl]methanamine
CID 115238003
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate
CID 103548901
N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide
CID 103549161
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide
CID 3836231
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
1-methyl-4-(morpholin-3-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 103549022
2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548886
2-methyl-N-(morpholin-3-ylmethyl)-6-nitrobenzenesulfonamide
CID 103548838
4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103549019
1,1-difluoro-N-(morpholin-3-ylmethyl)methanesulfonamide
CID 103548837

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide (CID 103548867) is N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC2COCCN2)cc1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide?
The InChIKey is BJUWVQJHZNPELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-3-12-4-6-14(7-5-12)20(17,18)16-10-13-11-19-9-8-15-13/h4-7,13,15-16H,2-3,8-11H2,1H3.
What are the key properties of N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide?
N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 103548867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).