1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine

C14H24N4O3S — CID 111605081

IUPAC1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(S(N)(=O)=O)cc1)NCC(C)(C)OC
InChIInChI=1S/C14H24N4O3S/c1-14(2,21-4)10-18-13(16-3)17-9-11-5-7-12(8-6-11)22(15,19)20/h5-8H,9-10H2,1-4H3,(H2,15,19,20)(H2,16,17,18)
InChIKeyMFVRKOQRSWREGJ-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.42
Rot. Bonds6

About 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine

1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine (PubChem CID 111605081) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
PubChem CID111605081
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(S(N)(=O)=O)cc1)NCC(C)(C)OC
InChIInChI=1S/C14H24N4O3S/c1-14(2,21-4)10-18-13(16-3)17-9-11-5-7-12(8-6-11)22(15,19)20/h5-8H,9-10H2,1-4H3,(H2,15,19,20)(H2,16,17,18)
InChIKeyMFVRKOQRSWREGJ-UHFFFAOYSA-N
XLogP0.42
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.42
H-Bond Donors ≤ 53
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-(2-methoxy-2-methylpropyl)-2-methyl-3-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111605247
1-[2-(4-ethylphenyl)-2-methylpropyl]-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 109464831
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111200889
N-ethyl-4-[[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111607541
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
CID 111249559
1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111605168
N-[4-[[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111605032
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111605330
2-methyl-1-(2-methylsulfanylethyl)-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111344324
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111605624
2-methyl-1-[(3-methylphenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111899600
2-methyl-1-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111245416

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine (CID 111605081) is 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine is C/N=C(/NCc1ccc(S(N)(=O)=O)cc1)NCC(C)(C)OC.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine?
The InChIKey is MFVRKOQRSWREGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-14(2,21-4)10-18-13(16-3)17-9-11-5-7-12(8-6-11)22(15,19)20/h5-8H,9-10H2,1-4H3,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine?
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine has a molecular weight of 328.44 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine is sourced from PubChem (CID 111605081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).