1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine

C10H16N4O2S2 — CID 119117369

IUPAC1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
SMILESC=C(C)CN/C(N)=N/Cc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C10H16N4O2S2/c1-7(2)5-13-10(11)14-6-8-3-4-9(17-8)18(12,15)16/h3-4H,1,5-6H2,2H3,(H3,11,13,14)(H2,12,15,16)
InChIKeyFJRPVOCOMOBOQK-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.38
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine

1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine (PubChem CID 119117369) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
PubChem CID119117369
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
SMILESC=C(C)CN/C(N)=N/Cc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C10H16N4O2S2/c1-7(2)5-13-10(11)14-6-8-3-4-9(17-8)18(12,15)16/h3-4H,1,5-6H2,2H3,(H3,11,13,14)(H2,12,15,16)
InChIKeyFJRPVOCOMOBOQK-UHFFFAOYSA-N
XLogP0.38
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.38
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 119117350
N-ethyl-2,2,3,3-tetramethyl-N'-[(5-sulfamoylthiophen-2-yl)methyl]azetidine-1-carboximidamide
CID 109453788
1-ethyl-2-[(5-methylthiophen-2-yl)methyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
CID 111897471
2-acetamido-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 61128464
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
CID 119140662
5-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616513
1-ethyl-3-(2-methylcyclopropyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
CID 111962285
1-tert-butyl-2-[(5-ethylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 120662455
N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111031033
2-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111824690
2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111047580
1-(2-methylprop-2-enyl)-2-[(4-methylthiophen-3-yl)methyl]guanidine;hydroiodide
CID 120602779

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine (CID 119117369) is 1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine is C=C(C)CN/C(N)=N/Cc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
The InChIKey is FJRPVOCOMOBOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-7(2)5-13-10(11)14-6-8-3-4-9(17-8)18(12,15)16/h3-4H,1,5-6H2,2H3,(H3,11,13,14)(H2,12,15,16).
What are the key properties of 1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine has a molecular weight of 288.40 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine is sourced from PubChem (CID 119117369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).