2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C11H20ClIN4O2S2 — CID 86780843

IUPAC2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCCNS(=O)(=O)c1ccc(Cl)s1)N(C)C.I
InChIInChI=1S/C11H19ClN4O2S2.HI/c1-15(2)11(16(3)4)13-7-8-14-20(17,18)10-6-5-9(12)19-10;/h5-6,14H,7-8H2,1-4H3;1H
InChIKeyFYYJIULSTDGCJI-UHFFFAOYSA-N
MW466.80 g/mol
LogP1.78
Rot. Bonds5

About 2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 86780843) has the molecular formula C11H20ClIN4O2S2 and a molecular weight of 466.80 g/mol. Its IUPAC name is 2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID86780843
Molecular FormulaC11H20ClIN4O2S2
Molecular Weight466.80 g/mol
Exact Mass465.98
IUPAC Name2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCCNS(=O)(=O)c1ccc(Cl)s1)N(C)C.I
InChIInChI=1S/C11H19ClN4O2S2.HI/c1-15(2)11(16(3)4)13-7-8-14-20(17,18)10-6-5-9(12)19-10;/h5-6,14H,7-8H2,1-4H3;1H
InChIKeyFYYJIULSTDGCJI-UHFFFAOYSA-N
XLogP1.78
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.80
LogP ≤ 51.78
H-Bond Donors ≤ 51
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 86780843) is 2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CN(C)C(=NCCNS(=O)(=O)c1ccc(Cl)s1)N(C)C.I.
What is the InChIKey of 2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is FYYJIULSTDGCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S2.HI/c1-15(2)11(16(3)4)13-7-8-14-20(17,18)10-6-5-9(12)19-10;/h5-6,14H,7-8H2,1-4H3;1H.
What are the key properties of 2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 466.80 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 86780843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).