2-pentyl-1-sulfamoylguanidine

C6H16N4O2S — CID 119097746

IUPAC2-pentyl-1-sulfamoylguanidine
SMILESCCCCC/N=C(\N)NS(N)(=O)=O
InChIInChI=1S/C6H16N4O2S/c1-2-3-4-5-9-6(7)10-13(8,11)12/h2-5H2,1H3,(H3,7,9,10)(H2,8,11,12)
InChIKeyUYJCPNAJDRTEIJ-UHFFFAOYSA-N
MW208.29 g/mol
LogP-0.72
Rot. Bonds5

About 2-pentyl-1-sulfamoylguanidine

2-pentyl-1-sulfamoylguanidine (PubChem CID 119097746) has the molecular formula C6H16N4O2S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-pentyl-1-sulfamoylguanidine.

Molecular Properties

Compound Name2-pentyl-1-sulfamoylguanidine
PubChem CID119097746
Molecular FormulaC6H16N4O2S
Molecular Weight208.29 g/mol
Exact Mass208.10
IUPAC Name2-pentyl-1-sulfamoylguanidine
SMILESCCCCC/N=C(\N)NS(N)(=O)=O
InChIInChI=1S/C6H16N4O2S/c1-2-3-4-5-9-6(7)10-13(8,11)12/h2-5H2,1H3,(H3,7,9,10)(H2,8,11,12)
InChIKeyUYJCPNAJDRTEIJ-UHFFFAOYSA-N
XLogP-0.72
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2,2,2-trichloroethyl N-(N'-pentylcarbamimidoyl)sulfamate
CID 86235569
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
(N'-hexylcarbamimidoyl)urea
CID 87601330
2-hexyl-1-(2-methylsulfonylethyl)guanidine
CID 111063406
1-ethyl-2-nonylguanidine
CID 111034740
2-nonyl-1-propan-2-ylguanidine
CID 111034727
1-hexyl-2-(3-methylsulfonylpropyl)guanidine
CID 111067170
(N'-butylcarbamimidoyl)urea
CID 10975769
2-octyl-1-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111024273
2-octyl-1-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111024272
N'-pentylpropanimidamide
CID 62047571

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1-sulfamoylguanidine?
The IUPAC name of 2-pentyl-1-sulfamoylguanidine (CID 119097746) is 2-pentyl-1-sulfamoylguanidine.
What is the SMILES notation for 2-pentyl-1-sulfamoylguanidine?
The canonical SMILES for 2-pentyl-1-sulfamoylguanidine is CCCCC/N=C(\N)NS(N)(=O)=O.
What is the InChIKey of 2-pentyl-1-sulfamoylguanidine?
The InChIKey is UYJCPNAJDRTEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O2S/c1-2-3-4-5-9-6(7)10-13(8,11)12/h2-5H2,1H3,(H3,7,9,10)(H2,8,11,12).
What are the key properties of 2-pentyl-1-sulfamoylguanidine?
2-pentyl-1-sulfamoylguanidine has a molecular weight of 208.29 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1-sulfamoylguanidine is sourced from PubChem (CID 119097746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).