1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine

C12H20N4O2S2 — CID 119954337

IUPAC1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine
SMILESN/C(=N\CCNS(=O)(=O)c1cccs1)NC1CCCC1
InChIInChI=1S/C12H20N4O2S2/c13-12(16-10-4-1-2-5-10)14-7-8-15-20(17,18)11-6-3-9-19-11/h3,6,9-10,15H,1-2,4-5,7-8H2,(H3,13,14,16)
InChIKeyPAWZDGKOHNYJEL-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.87
Rot. Bonds6

About 1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine

1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine (PubChem CID 119954337) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine
PubChem CID119954337
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC Name1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine
SMILESN/C(=N\CCNS(=O)(=O)c1cccs1)NC1CCCC1
InChIInChI=1S/C12H20N4O2S2/c13-12(16-10-4-1-2-5-10)14-7-8-15-20(17,18)11-6-3-9-19-11/h3,6,9-10,15H,1-2,4-5,7-8H2,(H3,13,14,16)
InChIKeyPAWZDGKOHNYJEL-UHFFFAOYSA-N
XLogP0.87
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043745
N-[2-(cyclopentylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110345804
1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 62364518
N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
CID 83202524
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 110370165
N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 114295389
1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 78963230
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 30197174
1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
CID 119119816
N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 114550202

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine (CID 119954337) is 1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine is N/C(=N\CCNS(=O)(=O)c1cccs1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine?
The InChIKey is PAWZDGKOHNYJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c13-12(16-10-4-1-2-5-10)14-7-8-15-20(17,18)11-6-3-9-19-11/h3,6,9-10,15H,1-2,4-5,7-8H2,(H3,13,14,16).
What are the key properties of 1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine?
1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine has a molecular weight of 316.45 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine is sourced from PubChem (CID 119954337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).