adamantan-2-amine;sulfuric acid

C10H19NO4S — CID 54604081

IUPACadamantan-2-amine;sulfuric acid
SMILESNC1C2CC3CC(C2)CC1C3.O=S(=O)(O)O
InChIInChI=1S/C10H17N.H2O4S/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-5(2,3)4/h6-10H,1-5,11H2;(H2,1,2,3,4)
InChIKeyUJWYGTYOTDSQTK-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.12
Rot. Bonds

About adamantan-2-amine;sulfuric acid

adamantan-2-amine;sulfuric acid (PubChem CID 54604081) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is adamantan-2-amine;sulfuric acid.

Molecular Properties

Compound Nameadamantan-2-amine;sulfuric acid
PubChem CID54604081
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Nameadamantan-2-amine;sulfuric acid
SMILESNC1C2CC3CC(C2)CC1C3.O=S(=O)(O)O
InChIInChI=1S/C10H17N.H2O4S/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-5(2,3)4/h6-10H,1-5,11H2;(H2,1,2,3,4)
InChIKeyUJWYGTYOTDSQTK-UHFFFAOYSA-N
XLogP1.12
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-adamantyl)-N'-propylsulfamide
CID 16103199
N-(2-Adamantyl)Sulfamide
CID 44381140
Adamantan-1-amine sulfate
CID 9837823
N-(methylsulfamoyl)adamantan-2-amine
CID 10634063
Cyclohexylamine, 2-(cyclohexylmethyl)-, sulfate (Z)-
CID 3063995
2-Aminoadamantane sulfate (2:1)
CID 131850245
4-(1-Adamantylmethyl)cyclohexan-1-amine; sulfuric acid
CID 297470
4-(Cyclohexylmethyl)cyclohexan-1-amine;sulfuric acid
CID 299587
Cyclohexylamine, 4-(cyclohexylmethyl)-, sulfate (1:1)
CID 162394160
2-(Cyclohexylmethyl)cyclohexan-1-amine;sulfuric acid
CID 297771
N-(2-adamantyl)sulfamoyl chloride
CID 13271191
2-Adamantylazanium hydroxide
CID 66728778

Frequently Asked Questions

What is the IUPAC name of adamantan-2-amine;sulfuric acid?
The IUPAC name of adamantan-2-amine;sulfuric acid (CID 54604081) is adamantan-2-amine;sulfuric acid.
What is the SMILES notation for adamantan-2-amine;sulfuric acid?
The canonical SMILES for adamantan-2-amine;sulfuric acid is NC1C2CC3CC(C2)CC1C3.O=S(=O)(O)O.
What is the InChIKey of adamantan-2-amine;sulfuric acid?
The InChIKey is UJWYGTYOTDSQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.H2O4S/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-5(2,3)4/h6-10H,1-5,11H2;(H2,1,2,3,4).
What are the key properties of adamantan-2-amine;sulfuric acid?
adamantan-2-amine;sulfuric acid has a molecular weight of 249.33 g/mol, XLogP of 1.12, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-2-amine;sulfuric acid is sourced from PubChem (CID 54604081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).