1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine

C19H30N4O2S — CID 110957330

IUPAC1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCS(=O)(=O)N1CCc2ccccc21)NC1CCCCC1
InChIInChI=1S/C19H30N4O2S/c1-2-20-19(22-17-9-4-3-5-10-17)21-13-15-26(24,25)23-14-12-16-8-6-7-11-18(16)23/h6-8,11,17H,2-5,9-10,12-15H2,1H3,(H2,20,21,22)
InChIKeyAGVFQNKTKCVDOR-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.27
Rot. Bonds6

About 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine

1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine (PubChem CID 110957330) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine
PubChem CID110957330
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCS(=O)(=O)N1CCc2ccccc21)NC1CCCCC1
InChIInChI=1S/C19H30N4O2S/c1-2-20-19(22-17-9-4-3-5-10-17)21-13-15-26(24,25)23-14-12-16-8-6-7-11-18(16)23/h6-8,11,17H,2-5,9-10,12-15H2,1H3,(H2,20,21,22)
InChIKeyAGVFQNKTKCVDOR-UHFFFAOYSA-N
XLogP2.27
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-cyclopentylpyrrolidin-3-yl)-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111918978
1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine
CID 111083217
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111226329
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409845
2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932670
1-cyclohexyl-3-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]guanidine;hydroiodide
CID 111578248
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968255
1-cyclohexyl-2-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-ethylguanidine
CID 111559132
1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine
CID 110030617
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910749
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111949264
2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979318

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine (CID 110957330) is 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine is CCN/C(=N\CCS(=O)(=O)N1CCc2ccccc21)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine?
The InChIKey is AGVFQNKTKCVDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-2-20-19(22-17-9-4-3-5-10-17)21-13-15-26(24,25)23-14-12-16-8-6-7-11-18(16)23/h6-8,11,17H,2-5,9-10,12-15H2,1H3,(H2,20,21,22).
What are the key properties of 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine?
1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine has a molecular weight of 378.54 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 110957330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).