1-adamantylsulfamic acid

C10H17NO3S — CID 13271164

IUPAC1-adamantylsulfamic acid
SMILESO=S(=O)(O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17NO3S/c12-15(13,14)11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2,(H,12,13,14)
InChIKeySAYFDKDAUXBEPW-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.35
Rot. Bonds2

About 1-adamantylsulfamic acid

1-adamantylsulfamic acid (PubChem CID 13271164) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-adamantylsulfamic acid.

Molecular Properties

Compound Name1-adamantylsulfamic acid
PubChem CID13271164
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name1-adamantylsulfamic acid
SMILESO=S(=O)(O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17NO3S/c12-15(13,14)11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2,(H,12,13,14)
InChIKeySAYFDKDAUXBEPW-UHFFFAOYSA-N
XLogP1.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylsulfamic acid?
The IUPAC name of 1-adamantylsulfamic acid (CID 13271164) is 1-adamantylsulfamic acid.
What is the SMILES notation for 1-adamantylsulfamic acid?
The canonical SMILES for 1-adamantylsulfamic acid is O=S(=O)(O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylsulfamic acid?
The InChIKey is SAYFDKDAUXBEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-15(13,14)11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2,(H,12,13,14).
What are the key properties of 1-adamantylsulfamic acid?
1-adamantylsulfamic acid has a molecular weight of 231.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylsulfamic acid is sourced from PubChem (CID 13271164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).