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

C17H26N4O2S — CID 111083217

IUPAC1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine
SMILESN/C(=N\CCS(=O)(=O)N1CCc2ccccc21)NC1CCCCC1
InChIInChI=1S/C17H26N4O2S/c18-17(20-15-7-2-1-3-8-15)19-11-13-24(22,23)21-12-10-14-6-4-5-9-16(14)21/h4-6,9,15H,1-3,7-8,10-13H2,(H3,18,19,20)
InChIKeyJWCSYFIHYWEVKW-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.62
Rot. Bonds5

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

1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine (PubChem CID 111083217) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine
PubChem CID111083217
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine
SMILESN/C(=N\CCS(=O)(=O)N1CCc2ccccc21)NC1CCCCC1
InChIInChI=1S/C17H26N4O2S/c18-17(20-15-7-2-1-3-8-15)19-11-13-24(22,23)21-12-10-14-6-4-5-9-16(14)21/h4-6,9,15H,1-3,7-8,10-13H2,(H3,18,19,20)
InChIKeyJWCSYFIHYWEVKW-UHFFFAOYSA-N
XLogP1.62
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.62
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-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine
CID 110957330
2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721459
1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine
CID 110030617
2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111083238
1-(1-cyclopentylpyrrolidin-3-yl)-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111918978
N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide
CID 111083219
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110918358
1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111804808
1-cyclohexyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111804807
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111083281
1-cyclopentyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 119146990
1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
CID 119119816

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine (CID 111083217) is 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine is N/C(=N\CCS(=O)(=O)N1CCc2ccccc21)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine?
The InChIKey is JWCSYFIHYWEVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c18-17(20-15-7-2-1-3-8-15)19-11-13-24(22,23)21-12-10-14-6-4-5-9-16(14)21/h4-6,9,15H,1-3,7-8,10-13H2,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine?
1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine has a molecular weight of 350.49 g/mol, XLogP of 1.62, 5 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]guanidine is sourced from PubChem (CID 111083217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).