2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid

C10H17N3O5S — CID 72716226

IUPAC2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid
SMILESCOc1ccc(OC)c(N=C(N)N)c1.CS(=O)(=O)O
InChIInChI=1S/C9H13N3O2.CH4O3S/c1-13-6-3-4-8(14-2)7(5-6)12-9(10)11;1-5(2,3)4/h3-5H,1-2H3,(H4,10,11,12);1H3,(H,2,3,4)
InChIKeyZPYXSCRHPPOGBK-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.11
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid

2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid (PubChem CID 72716226) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid
PubChem CID72716226
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid
SMILESCOc1ccc(OC)c(N=C(N)N)c1.CS(=O)(=O)O
InChIInChI=1S/C9H13N3O2.CH4O3S/c1-13-6-3-4-8(14-2)7(5-6)12-9(10)11;1-5(2,3)4/h3-5H,1-2H3,(H4,10,11,12);1H3,(H,2,3,4)
InChIKeyZPYXSCRHPPOGBK-UHFFFAOYSA-N
XLogP0.11
TPSA137.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-(2,5-dimethoxyphenyl)guanidine
CID 2968809
2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
(2,5-dimethoxyphenyl) sulfamate
CID 56992916
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]guanidine
CID 85096180
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
2-[[amino-(diaminomethylideneamino)methylidene]amino]-5-methoxybenzenesulfonic acid
CID 168605804
1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine
CID 168603610
O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124
1-(4-tert-butylphenyl)-3-[2-(2,5-dimethoxyphenyl)iminopropanehydrazonoyl]-1-methylurea
CID 169248204
[(2,4-dimethoxyphenyl)sulfonylamino]urea
CID 140662030
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3248071
N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide
CID 94282290

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid?
The IUPAC name of 2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid (CID 72716226) is 2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid is COc1ccc(OC)c(N=C(N)N)c1.CS(=O)(=O)O.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid?
The InChIKey is ZPYXSCRHPPOGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.CH4O3S/c1-13-6-3-4-8(14-2)7(5-6)12-9(10)11;1-5(2,3)4/h3-5H,1-2H3,(H4,10,11,12);1H3,(H,2,3,4).
What are the key properties of 2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid?
2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid has a molecular weight of 291.33 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)guanidine;methanesulfonic acid is sourced from PubChem (CID 72716226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).