1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide

C9H23IN4O2S — CID 110967375

IUPAC1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCS(N)(=O)=O)NC(C)(C)C.I
InChIInChI=1S/C9H22N4O2S.HI/c1-5-11-8(13-9(2,3)4)12-6-7-16(10,14)15;/h5-7H2,1-4H3,(H2,10,14,15)(H2,11,12,13);1H
InChIKeyBFNPQRJGESILFO-UHFFFAOYSA-N
MW378.28 g/mol
LogP0.25
Rot. Bonds4

About 1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide

1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide (PubChem CID 110967375) has the molecular formula C9H23IN4O2S and a molecular weight of 378.28 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
PubChem CID110967375
Molecular FormulaC9H23IN4O2S
Molecular Weight378.28 g/mol
Exact Mass378.06
IUPAC Name1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCS(N)(=O)=O)NC(C)(C)C.I
InChIInChI=1S/C9H22N4O2S.HI/c1-5-11-8(13-9(2,3)4)12-6-7-16(10,14)15;/h5-7H2,1-4H3,(H2,10,14,15)(H2,11,12,13);1H
InChIKeyBFNPQRJGESILFO-UHFFFAOYSA-N
XLogP0.25
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 50.25
H-Bond Donors ≤ 53
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-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 110967190
1-ethyl-2-(2-sulfamoylethyl)guanidine
CID 62364849
1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110965781
1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110976812
1-tert-butyl-3-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 110967286
1-tert-butyl-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110965066
1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351289
1-tert-butyl-3-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 110964568
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine
CID 110966408
2-(3-butoxypropyl)-1-tert-butyl-3-ethylguanidine;hydroiodide
CID 110965863
methyl 3-[[(tert-butylamino)-(ethylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 110966455
methyl 5-[[(tert-butylamino)-(ethylamino)methylidene]amino]pentanoate
CID 110965081

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide (CID 110967375) is 1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide is CCN/C(=N\CCS(N)(=O)=O)NC(C)(C)C.I.
What is the InChIKey of 1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The InChIKey is BFNPQRJGESILFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2S.HI/c1-5-11-8(13-9(2,3)4)12-6-7-16(10,14)15;/h5-7H2,1-4H3,(H2,10,14,15)(H2,11,12,13);1H.
What are the key properties of 1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide?
1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide has a molecular weight of 378.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110967375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).