amino(cyclohexyl)azanium sulfate

C6H15N2O4S- — CID 139595349

IUPACamino(cyclohexyl)azanium sulfate
SMILESN[NH2+]C1CCCCC1.O=S(=O)([O-])[O-]
InChIInChI=1S/C6H14N2.H2O4S/c7-8-6-4-2-1-3-5-6;1-5(2,3)4/h6,8H,1-5,7H2;(H2,1,2,3,4)/p-1
InChIKeyHYGTVVBJPFJRKV-UHFFFAOYSA-M
MW211.26 g/mol
LogP-1.58
Rot. Bonds1

About amino(cyclohexyl)azanium sulfate

amino(cyclohexyl)azanium sulfate (PubChem CID 139595349) has the molecular formula C6H15N2O4S- and a molecular weight of 211.26 g/mol. Its IUPAC name is amino(cyclohexyl)azanium sulfate.

Molecular Properties

Compound Nameamino(cyclohexyl)azanium sulfate
PubChem CID139595349
Molecular FormulaC6H15N2O4S-
Molecular Weight211.26 g/mol
Exact Mass211.08
IUPAC Nameamino(cyclohexyl)azanium sulfate
SMILESN[NH2+]C1CCCCC1.O=S(=O)([O-])[O-]
InChIInChI=1S/C6H14N2.H2O4S/c7-8-6-4-2-1-3-5-6;1-5(2,3)4/h6,8H,1-5,7H2;(H2,1,2,3,4)/p-1
InChIKeyHYGTVVBJPFJRKV-UHFFFAOYSA-M
XLogP-1.58
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(cyclohexyl)azanium sulfate?
The IUPAC name of amino(cyclohexyl)azanium sulfate (CID 139595349) is amino(cyclohexyl)azanium sulfate.
What is the SMILES notation for amino(cyclohexyl)azanium sulfate?
The canonical SMILES for amino(cyclohexyl)azanium sulfate is N[NH2+]C1CCCCC1.O=S(=O)([O-])[O-].
What is the InChIKey of amino(cyclohexyl)azanium sulfate?
The InChIKey is HYGTVVBJPFJRKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2.H2O4S/c7-8-6-4-2-1-3-5-6;1-5(2,3)4/h6,8H,1-5,7H2;(H2,1,2,3,4)/p-1.
What are the key properties of amino(cyclohexyl)azanium sulfate?
amino(cyclohexyl)azanium sulfate has a molecular weight of 211.26 g/mol, XLogP of -1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino(cyclohexyl)azanium sulfate is sourced from PubChem (CID 139595349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).