3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide

C11H18N4O3S — CID 114816930

IUPAC3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CNS(=O)(=O)NCCOC)c1
InChIInChI=1S/C11H18N4O3S/c1-18-6-5-14-19(16,17)15-8-9-3-2-4-10(7-9)11(12)13/h2-4,7,14-15H,5-6,8H2,1H3,(H3,12,13)
InChIKeyRIQXQYQEIRWLHN-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.46
Rot. Bonds8

About 3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide

3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide (PubChem CID 114816930) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
PubChem CID114816930
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CNS(=O)(=O)NCCOC)c1
InChIInChI=1S/C11H18N4O3S/c1-18-6-5-14-19(16,17)15-8-9-3-2-4-10(7-9)11(12)13/h2-4,7,14-15H,5-6,8H2,1H3,(H3,12,13)
InChIKeyRIQXQYQEIRWLHN-UHFFFAOYSA-N
XLogP-0.46
TPSA117.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
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

3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
CID 114814467
[3-[(2-methoxyethylsulfamoylamino)methyl]phenyl]methanol
CID 114815669
3-[(2-methoxyethylsulfamoylamino)methyl]phenol
CID 114815535
3-[(tert-butylamino)methyl]benzenecarboximidamide
CID 163795813
2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline
CID 114814135
3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride
CID 71456775
3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide
CID 114813290
2-(2-methoxyethylsulfamoylamino)-1-phenylethanone
CID 114815339
4-[[3-[5-[3-[[(4-carbamimidoylphenyl)sulfonylamino]methyl]phenoxy]pentoxy]phenyl]methylsulfamoyl]benzenecarboximidamide
CID 22002072
3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide
CID 63089058
3-(2-phenylethenylsulfonylmethyl)benzenecarboximidamide
CID 57002364
N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline
CID 106911371

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide?
The IUPAC name of 3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide (CID 114816930) is 3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CNS(=O)(=O)NCCOC)c1.
What is the InChIKey of 3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide?
The InChIKey is RIQXQYQEIRWLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-18-6-5-14-19(16,17)15-8-9-3-2-4-10(7-9)11(12)13/h2-4,7,14-15H,5-6,8H2,1H3,(H3,12,13).
What are the key properties of 3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide?
3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide has a molecular weight of 286.36 g/mol, XLogP of -0.46, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 114816930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).