2-piperidin-1-ylguanidine;sulfuric acid

C6H16N4O4S — CID 70431463

IUPAC2-piperidin-1-ylguanidine;sulfuric acid
SMILESNC(N)=NN1CCCCC1.O=S(=O)(O)O
InChIInChI=1S/C6H14N4.H2O4S/c7-6(8)9-10-4-2-1-3-5-10;1-5(2,3)4/h1-5H2,(H4,7,8,9);(H2,1,2,3,4)
InChIKeyPBLAEYNNRGCVOC-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.99
Rot. Bonds1

About 2-piperidin-1-ylguanidine;sulfuric acid

2-piperidin-1-ylguanidine;sulfuric acid (PubChem CID 70431463) has the molecular formula C6H16N4O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-piperidin-1-ylguanidine;sulfuric acid.

Molecular Properties

Compound Name2-piperidin-1-ylguanidine;sulfuric acid
PubChem CID70431463
Molecular FormulaC6H16N4O4S
Molecular Weight240.28 g/mol
Exact Mass240.09
IUPAC Name2-piperidin-1-ylguanidine;sulfuric acid
SMILESNC(N)=NN1CCCCC1.O=S(=O)(O)O
InChIInChI=1S/C6H14N4.H2O4S/c7-6(8)9-10-4-2-1-3-5-10;1-5(2,3)4/h1-5H2,(H4,7,8,9);(H2,1,2,3,4)
InChIKeyPBLAEYNNRGCVOC-UHFFFAOYSA-N
XLogP-0.99
TPSA142.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
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-piperidin-1-ylguanidine;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione;hydrobromide
CID 173348927
2-(1,1-dioxo-1,4-thiazinan-4-yl)guanidine
CID 110183111
2-[2-(azepan-1-yl)ethoxy]guanidine;sulfuric acid
CID 90481817
cyclobutane;phosphane;sulfuric acid
CID 174420693
bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
CID 176522883
piperidine-1-sulfonic acid
CID 558632
1,1-dicyclohexyl-2-piperidin-1-ylguanidine
CID 67195280
1-nitrosoazepane
CID 13613
2-(1-cyclohexylazetidin-3-yl)guanidine;sulfuric acid
CID 23620223
(2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide
CID 89149991
4-methylsulfonyl-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide
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hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane
CID 91537889

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylguanidine;sulfuric acid?
The IUPAC name of 2-piperidin-1-ylguanidine;sulfuric acid (CID 70431463) is 2-piperidin-1-ylguanidine;sulfuric acid.
What is the SMILES notation for 2-piperidin-1-ylguanidine;sulfuric acid?
The canonical SMILES for 2-piperidin-1-ylguanidine;sulfuric acid is NC(N)=NN1CCCCC1.O=S(=O)(O)O.
What is the InChIKey of 2-piperidin-1-ylguanidine;sulfuric acid?
The InChIKey is PBLAEYNNRGCVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4.H2O4S/c7-6(8)9-10-4-2-1-3-5-10;1-5(2,3)4/h1-5H2,(H4,7,8,9);(H2,1,2,3,4).
What are the key properties of 2-piperidin-1-ylguanidine;sulfuric acid?
2-piperidin-1-ylguanidine;sulfuric acid has a molecular weight of 240.28 g/mol, XLogP of -0.99, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylguanidine;sulfuric acid is sourced from PubChem (CID 70431463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).