1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine

C11H17N5O2S — CID 116511984

IUPAC1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine
SMILESNN/C(=N\Cc1ccc(S(N)(=O)=O)cc1)NC1CC1
InChIInChI=1S/C11H17N5O2S/c12-16-11(15-9-3-4-9)14-7-8-1-5-10(6-2-8)19(13,17)18/h1-2,5-6,9H,3-4,7,12H2,(H2,13,17,18)(H2,14,15,16)
InChIKeyMJZDSMPOQFVUAU-UHFFFAOYSA-N
MW283.36 g/mol
LogP-0.59
Rot. Bonds4

About 1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine

1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine (PubChem CID 116511984) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine
PubChem CID116511984
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine
SMILESNN/C(=N\Cc1ccc(S(N)(=O)=O)cc1)NC1CC1
InChIInChI=1S/C11H17N5O2S/c12-16-11(15-9-3-4-9)14-7-8-1-5-10(6-2-8)19(13,17)18/h1-2,5-6,9H,3-4,7,12H2,(H2,13,17,18)(H2,14,15,16)
InChIKeyMJZDSMPOQFVUAU-UHFFFAOYSA-N
XLogP-0.59
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-benzyl-3-cyclopropylguanidine
CID 116511559
1-cyclopropyl-3-[(4-nitrophenyl)methyl]-2-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 136920579
1-cyclopentyl-3-[(4-nitrophenyl)methyl]-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 136920582
1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine
CID 116512388
1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 116511985
1-cyclopropyl-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 62364011
1-[2-(furan-2-yl)ethyl]-3-(4-propan-2-ylcyclohexyl)-2-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 110060095
2-methyl-1-(4-methylcyclohexyl)-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111255804
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111189421
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111189635
1-cyclopent-3-en-1-yl-3-[2-(furan-2-yl)ethyl]-2-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 110059641
1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 116514484

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine (CID 116511984) is 1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine is NN/C(=N\Cc1ccc(S(N)(=O)=O)cc1)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine?
The InChIKey is MJZDSMPOQFVUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c12-16-11(15-9-3-4-9)14-7-8-1-5-10(6-2-8)19(13,17)18/h1-2,5-6,9H,3-4,7,12H2,(H2,13,17,18)(H2,14,15,16).
What are the key properties of 1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine?
1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine has a molecular weight of 283.36 g/mol, XLogP of -0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine is sourced from PubChem (CID 116511984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).