1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide

C10H19IN4O2S2 — CID 119117350

IUPAC1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/Cc1ccc(S(N)(=O)=O)s1.I
InChIInChI=1S/C10H18N4O2S2.HI/c1-10(2,3)14-9(11)13-6-7-4-5-8(17-7)18(12,15)16;/h4-5H,6H2,1-3H3,(H3,11,13,14)(H2,12,15,16);1H
InChIKeyUHPZWIYSJCHMLI-UHFFFAOYSA-N
MW418.33 g/mol
LogP1.22
Rot. Bonds3

About 1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide

1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide (PubChem CID 119117350) has the molecular formula C10H19IN4O2S2 and a molecular weight of 418.33 g/mol. Its IUPAC name is 1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
PubChem CID119117350
Molecular FormulaC10H19IN4O2S2
Molecular Weight418.33 g/mol
Exact Mass418.00
IUPAC Name1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/Cc1ccc(S(N)(=O)=O)s1.I
InChIInChI=1S/C10H18N4O2S2.HI/c1-10(2,3)14-9(11)13-6-7-4-5-8(17-7)18(12,15)16;/h4-5H,6H2,1-3H3,(H3,11,13,14)(H2,12,15,16);1H
InChIKeyUHPZWIYSJCHMLI-UHFFFAOYSA-N
XLogP1.22
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 51.22
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide (CID 119117350) is 1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide is CC(C)(C)N/C(N)=N/Cc1ccc(S(N)(=O)=O)s1.I.
What is the InChIKey of 1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is UHPZWIYSJCHMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2.HI/c1-10(2,3)14-9(11)13-6-7-4-5-8(17-7)18(12,15)16;/h4-5H,6H2,1-3H3,(H3,11,13,14)(H2,12,15,16);1H.
What are the key properties of 1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide?
1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 418.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119117350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).