1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine

C15H24N4O3S — CID 110934369

IUPAC1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccc(S(=O)(=O)NCCOC)cc1)NC1CC1
InChIInChI=1S/C15H24N4O3S/c1-16-15(19-13-5-6-13)17-11-12-3-7-14(8-4-12)23(20,21)18-9-10-22-2/h3-4,7-8,13,18H,5-6,9-11H2,1-2H3,(H2,16,17,19)
InChIKeyGIEZFRLFGRBBKQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.44
Rot. Bonds8

About 1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine

1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine (PubChem CID 110934369) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine
PubChem CID110934369
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccc(S(=O)(=O)NCCOC)cc1)NC1CC1
InChIInChI=1S/C15H24N4O3S/c1-16-15(19-13-5-6-13)17-11-12-3-7-14(8-4-12)23(20,21)18-9-10-22-2/h3-4,7-8,13,18H,5-6,9-11H2,1-2H3,(H2,16,17,19)
InChIKeyGIEZFRLFGRBBKQ-UHFFFAOYSA-N
XLogP0.44
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110965310
1-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111892345
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210070
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
1-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111827142
1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255428
1-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
CID 111603231
1-[2-(3-fluorophenyl)ethyl]-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111395750
2-methyl-1-(4-methylcyclohexyl)-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111255804
1-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111237570
1-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111895843
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119296317

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine (CID 110934369) is 1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine is C/N=C(\NCc1ccc(S(=O)(=O)NCCOC)cc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine?
The InChIKey is GIEZFRLFGRBBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-16-15(19-13-5-6-13)17-11-12-3-7-14(8-4-12)23(20,21)18-9-10-22-2/h3-4,7-8,13,18H,5-6,9-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine?
1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine has a molecular weight of 340.45 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-methylguanidine is sourced from PubChem (CID 110934369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).