1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine

C16H28N4O2S2 — CID 110957332

IUPAC1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccc(S(=O)(=O)N(C)C)s1)NC1CCCCC1
InChIInChI=1S/C16H28N4O2S2/c1-4-17-16(19-13-8-6-5-7-9-13)18-12-14-10-11-15(23-14)24(21,22)20(2)3/h10-11,13H,4-9,12H2,1-3H3,(H2,17,18,19)
InChIKeyUEGKYNSQOSJBQO-UHFFFAOYSA-N
MW372.56 g/mol
LogP2.39
Rot. Bonds6

About 1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine

1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine (PubChem CID 110957332) has the molecular formula C16H28N4O2S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine
PubChem CID110957332
Molecular FormulaC16H28N4O2S2
Molecular Weight372.56 g/mol
Exact Mass372.17
IUPAC Name1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccc(S(=O)(=O)N(C)C)s1)NC1CCCCC1
InChIInChI=1S/C16H28N4O2S2/c1-4-17-16(19-13-8-6-5-7-9-13)18-12-14-10-11-15(23-14)24(21,22)20(2)3/h10-11,13H,4-9,12H2,1-3H3,(H2,17,18,19)
InChIKeyUEGKYNSQOSJBQO-UHFFFAOYSA-N
XLogP2.39
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.39
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-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109476854
1-cyclopentyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 110990034
2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 109476853
2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-ethyl-3-pentylguanidine;hydroiodide
CID 111128758
1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine
CID 110989219
2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-ethyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111609663
1-cyclohexyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110956978
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111528400
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111528350
1-ethyl-3-(2-methylcyclopropyl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
CID 111962285
1-cyclopentyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495840
N'-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958350

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine?
The IUPAC name of 1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine (CID 110957332) is 1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine is CCN/C(=N\Cc1ccc(S(=O)(=O)N(C)C)s1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine?
The InChIKey is UEGKYNSQOSJBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S2/c1-4-17-16(19-13-8-6-5-7-9-13)18-12-14-10-11-15(23-14)24(21,22)20(2)3/h10-11,13H,4-9,12H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine?
1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine has a molecular weight of 372.56 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethylguanidine is sourced from PubChem (CID 110957332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).