adamantan-1-amine sulfate

C10H17NO4S-2 — CID 22467655

IUPACadamantan-1-amine sulfate
SMILESNC12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])[O-]
InChIInChI=1S/C10H17N.H2O4S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-5(2,3)4/h7-9H,1-6,11H2;(H2,1,2,3,4)/p-2
InChIKeyPLRGINNCKYSSTP-UHFFFAOYSA-L
MW247.32 g/mol
LogP0.58
Rot. Bonds

About adamantan-1-amine sulfate

adamantan-1-amine sulfate (PubChem CID 22467655) has the molecular formula C10H17NO4S-2 and a molecular weight of 247.32 g/mol. Its IUPAC name is adamantan-1-amine sulfate.

Molecular Properties

Compound Nameadamantan-1-amine sulfate
PubChem CID22467655
Molecular FormulaC10H17NO4S-2
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Nameadamantan-1-amine sulfate
SMILESNC12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])[O-]
InChIInChI=1S/C10H17N.H2O4S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-5(2,3)4/h7-9H,1-6,11H2;(H2,1,2,3,4)/p-2
InChIKeyPLRGINNCKYSSTP-UHFFFAOYSA-L
XLogP0.58
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 adamantan-1-amine sulfate?
The IUPAC name of adamantan-1-amine sulfate (CID 22467655) is adamantan-1-amine sulfate.
What is the SMILES notation for adamantan-1-amine sulfate?
The canonical SMILES for adamantan-1-amine sulfate is NC12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])[O-].
What is the InChIKey of adamantan-1-amine sulfate?
The InChIKey is PLRGINNCKYSSTP-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H17N.H2O4S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-5(2,3)4/h7-9H,1-6,11H2;(H2,1,2,3,4)/p-2.
What are the key properties of adamantan-1-amine sulfate?
adamantan-1-amine sulfate has a molecular weight of 247.32 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-1-amine sulfate is sourced from PubChem (CID 22467655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).