1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine

C15H28N4O2S2 — CID 111101475

IUPAC1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine
SMILESCCN(CC)S(=O)(=O)c1ccc(CC/N=C(\N)NC(C)(C)C)s1
InChIInChI=1S/C15H28N4O2S2/c1-6-19(7-2)23(20,21)13-9-8-12(22-13)10-11-17-14(16)18-15(3,4)5/h8-9H,6-7,10-11H2,1-5H3,(H3,16,17,18)
InChIKeyYECCYHOXIQEWKW-UHFFFAOYSA-N
MW360.55 g/mol
LogP2.02
Rot. Bonds7

About 1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine

1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine (PubChem CID 111101475) has the molecular formula C15H28N4O2S2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine
PubChem CID111101475
Molecular FormulaC15H28N4O2S2
Molecular Weight360.55 g/mol
Exact Mass360.17
IUPAC Name1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine
SMILESCCN(CC)S(=O)(=O)c1ccc(CC/N=C(\N)NC(C)(C)C)s1
InChIInChI=1S/C15H28N4O2S2/c1-6-19(7-2)23(20,21)13-9-8-12(22-13)10-11-17-14(16)18-15(3,4)5/h8-9H,6-7,10-11H2,1-5H3,(H3,16,17,18)
InChIKeyYECCYHOXIQEWKW-UHFFFAOYSA-N
XLogP2.02
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine
CID 110936922
2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111101497
N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111384419
1-tert-butyl-2-[(5-ethylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 120662455
1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine
CID 110989219
1-tert-butyl-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 119117350
4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963755
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740118
N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740117
5-(2-aminoethyl)-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 43520868
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-pentylguanidine
CID 111128559

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine (CID 111101475) is 1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine is CCN(CC)S(=O)(=O)c1ccc(CC/N=C(\N)NC(C)(C)C)s1.
What is the InChIKey of 1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine?
The InChIKey is YECCYHOXIQEWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S2/c1-6-19(7-2)23(20,21)13-9-8-12(22-13)10-11-17-14(16)18-15(3,4)5/h8-9H,6-7,10-11H2,1-5H3,(H3,16,17,18).
What are the key properties of 1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine?
1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine has a molecular weight of 360.55 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine is sourced from PubChem (CID 111101475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).