1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine

C16H28N4O2S2 — CID 110989219

IUPAC1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)NC1CC1
InChIInChI=1S/C16H28N4O2S2/c1-4-17-16(19-13-7-8-13)18-12-11-14-9-10-15(23-14)24(21,22)20(5-2)6-3/h9-10,13H,4-8,11-12H2,1-3H3,(H2,17,18,19)
InChIKeyJZDKFXVYOOHRCJ-UHFFFAOYSA-N
MW372.56 g/mol
LogP2.04
Rot. Bonds9

About 1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine

1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine (PubChem CID 110989219) has the molecular formula C16H28N4O2S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine
PubChem CID110989219
Molecular FormulaC16H28N4O2S2
Molecular Weight372.56 g/mol
Exact Mass372.17
IUPAC Name1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)NC1CC1
InChIInChI=1S/C16H28N4O2S2/c1-4-17-16(19-13-7-8-13)18-12-11-14-9-10-15(23-14)24(21,22)20(5-2)6-3/h9-10,13H,4-8,11-12H2,1-3H3,(H2,17,18,19)
InChIKeyJZDKFXVYOOHRCJ-UHFFFAOYSA-N
XLogP2.04
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.04
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

1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019504
4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963755
2-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopentyl-3-ethylguanidine
CID 110990239
1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine
CID 110957332
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110976239
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
1-tert-butyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]guanidine
CID 111101475
N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111384419
2-[2-(5-bromothiophen-2-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017408
N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211375
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938693

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine?
The IUPAC name of 1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine (CID 110989219) is 1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine is CCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine?
The InChIKey is JZDKFXVYOOHRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S2/c1-4-17-16(19-13-7-8-13)18-12-11-14-9-10-15(23-14)24(21,22)20(5-2)6-3/h9-10,13H,4-8,11-12H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine?
1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine has a molecular weight of 372.56 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine is sourced from PubChem (CID 110989219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).