2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C15H25IN4O2S — CID 75511970

IUPAC2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCc1ccc(S(=O)(=O)NC2CC2)cc1)N(C)C.I
InChIInChI=1S/C15H24N4O2S.HI/c1-18(2)15(19(3)4)16-11-12-5-9-14(10-6-12)22(20,21)17-13-7-8-13;/h5-6,9-10,13,17H,7-8,11H2,1-4H3;1H
InChIKeyPAZCEYGCJWXVQT-UHFFFAOYSA-N
MW452.36 g/mol
LogP1.72
Rot. Bonds5

About 2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 75511970) has the molecular formula C15H25IN4O2S and a molecular weight of 452.36 g/mol. Its IUPAC name is 2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID75511970
Molecular FormulaC15H25IN4O2S
Molecular Weight452.36 g/mol
Exact Mass452.07
IUPAC Name2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCc1ccc(S(=O)(=O)NC2CC2)cc1)N(C)C.I
InChIInChI=1S/C15H24N4O2S.HI/c1-18(2)15(19(3)4)16-11-12-5-9-14(10-6-12)22(20,21)17-13-7-8-13;/h5-6,9-10,13,17H,7-8,11H2,1-4H3;1H
InChIKeyPAZCEYGCJWXVQT-UHFFFAOYSA-N
XLogP1.72
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111072198
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111072244
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-ethyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111942960
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-ethyl-3-(3-methylbutyl)guanidine
CID 110977797
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
1-(3-butoxypropyl)-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111239262
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111072240
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-ethyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111621643
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017912
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111653869
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 75511970) is 2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CN(C)C(=NCc1ccc(S(=O)(=O)NC2CC2)cc1)N(C)C.I.
What is the InChIKey of 2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is PAZCEYGCJWXVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.HI/c1-18(2)15(19(3)4)16-11-12-5-9-14(10-6-12)22(20,21)17-13-7-8-13;/h5-6,9-10,13,17H,7-8,11H2,1-4H3;1H.
What are the key properties of 2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 452.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 75511970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).