1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid

C7H17N5O4S — CID 176517926

IUPAC1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)N/C(N)=N/C1CCCC1
InChIInChI=1S/C7H15N5.H2O4S/c8-6(9)12-7(10)11-5-3-1-2-4-5;1-5(2,3)4/h5H,1-4H2,(H6,8,9,10,11,12);(H2,1,2,3,4)
InChIKeySCQHJSFQFJTDKJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.93
Rot. Bonds1

About 1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid

1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid (PubChem CID 176517926) has the molecular formula C7H17N5O4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid.

Molecular Properties

Compound Name1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid
PubChem CID176517926
Molecular FormulaC7H17N5O4S
Molecular Weight267.31 g/mol
Exact Mass267.10
IUPAC Name1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)N/C(N)=N/C1CCCC1
InChIInChI=1S/C7H15N5.H2O4S/c8-6(9)12-7(10)11-5-3-1-2-4-5;1-5(2,3)4/h5H,1-4H2,(H6,8,9,10,11,12);(H2,1,2,3,4)
InChIKeySCQHJSFQFJTDKJ-UHFFFAOYSA-N
XLogP-0.93
TPSA174.88 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine
CID 68500912
1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine
CID 176546957
3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine
CID 176546318
1-carbamimidoyl-2-(3,3-difluorocyclobutyl)guanidine
CID 176530591
2-cyclohexyl-1-methylsulfonylguanidine
CID 130901012
1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine
CID 176547008
N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176542819
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
1-carbamimidoylguanidine;oxovanadium(2+)
CID 176523770
2-cyclopentyl-1-methoxyguanidine
CID 130567773
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine
CID 176524021

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid?
The IUPAC name of 1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid (CID 176517926) is 1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid.
What is the SMILES notation for 1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid?
The canonical SMILES for 1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid is O=S(=O)(O)O.[H]/N=C(\N)N/C(N)=N/C1CCCC1.
What is the InChIKey of 1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid?
The InChIKey is SCQHJSFQFJTDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5.H2O4S/c8-6(9)12-7(10)11-5-3-1-2-4-5;1-5(2,3)4/h5H,1-4H2,(H6,8,9,10,11,12);(H2,1,2,3,4).
What are the key properties of 1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid?
1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid has a molecular weight of 267.31 g/mol, XLogP of -0.93, 1 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid is sourced from PubChem (CID 176517926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).