1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine

C15H22N4O2S — CID 110030617

IUPAC1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine
SMILESCN(/C(N)=N/CCS(=O)(=O)N1CCc2ccccc21)C1CC1
InChIInChI=1S/C15H22N4O2S/c1-18(13-6-7-13)15(16)17-9-11-22(20,21)19-10-8-12-4-2-3-5-14(12)19/h2-5,13H,6-11H2,1H3,(H2,16,17)
InChIKeyMJPPIDZPULKERP-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.79
Rot. Bonds5

About 1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine

1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine (PubChem CID 110030617) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine
PubChem CID110030617
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine
SMILESCN(/C(N)=N/CCS(=O)(=O)N1CCc2ccccc21)C1CC1
InChIInChI=1S/C15H22N4O2S/c1-18(13-6-7-13)15(16)17-9-11-22(20,21)19-10-8-12-4-2-3-5-14(12)19/h2-5,13H,6-11H2,1H3,(H2,16,17)
InChIKeyMJPPIDZPULKERP-UHFFFAOYSA-N
XLogP0.79
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
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]guanidine
CID 111083217
N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide
CID 111083219
2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111083238
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-1-methyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 110031118
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110918358
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111083281
2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110948202
1-(1-cyclopentylpyrrolidin-3-yl)-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111918978
1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole
CID 22058070
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111226329

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine (CID 110030617) is 1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine is CN(/C(N)=N/CCS(=O)(=O)N1CCc2ccccc21)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine?
The InChIKey is MJPPIDZPULKERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-18(13-6-7-13)15(16)17-9-11-22(20,21)19-10-8-12-4-2-3-5-14(12)19/h2-5,13H,6-11H2,1H3,(H2,16,17).
What are the key properties of 1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine?
1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine has a molecular weight of 322.43 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine is sourced from PubChem (CID 110030617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).