2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine

C19H24N4O3S — CID 110925474

IUPAC2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine
SMILESN/C(=N\Cc1ccccc1CS(=O)(=O)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C19H24N4O3S/c20-19(22-18-8-2-1-3-9-18)21-14-16-6-4-5-7-17(16)15-27(24,25)23-10-12-26-13-11-23/h1-9H,10-15H2,(H3,20,21,22)
InChIKeyOHKOKSRDGNRJEM-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.78
Rot. Bonds6

About 2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine

2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine (PubChem CID 110925474) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine
PubChem CID110925474
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine
SMILESN/C(=N\Cc1ccccc1CS(=O)(=O)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C19H24N4O3S/c20-19(22-18-8-2-1-3-9-18)21-14-16-6-4-5-7-17(16)15-27(24,25)23-10-12-26-13-11-23/h1-9H,10-15H2,(H3,20,21,22)
InChIKeyOHKOKSRDGNRJEM-UHFFFAOYSA-N
XLogP1.78
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111064355
1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]guanidine
CID 111963543
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486
1-(2-ethoxyethyl)-3-ethyl-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111897152
1-(4-ethylphenyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111093826
1-(3,5-dimethylphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033224
3-morpholin-4-ylsulfonyl-N-phenylpropanamide
CID 60667161
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
1-(4-ethoxybutyl)-3-ethyl-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]guanidine
CID 111946151
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 60596872
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119275552

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine?
The IUPAC name of 2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine (CID 110925474) is 2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine?
The canonical SMILES for 2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine is N/C(=N\Cc1ccccc1CS(=O)(=O)N1CCOCC1)Nc1ccccc1.
What is the InChIKey of 2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine?
The InChIKey is OHKOKSRDGNRJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c20-19(22-18-8-2-1-3-9-18)21-14-16-6-4-5-7-17(16)15-27(24,25)23-10-12-26-13-11-23/h1-9H,10-15H2,(H3,20,21,22).
What are the key properties of 2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine?
2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine has a molecular weight of 388.49 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylguanidine is sourced from PubChem (CID 110925474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).