N-(1-adamantyl)sulfamate

C10H16NO3S- — CID 51861439

IUPACN-(1-adamantyl)sulfamate
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)/p-1
InChIKeySAYFDKDAUXBEPW-UHFFFAOYSA-M
MW230.31 g/mol
LogP1.00
Rot. Bonds2

About N-(1-adamantyl)sulfamate

N-(1-adamantyl)sulfamate (PubChem CID 51861439) has the molecular formula C10H16NO3S- and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-adamantyl)sulfamate.

Molecular Properties

Compound NameN-(1-adamantyl)sulfamate
PubChem CID51861439
Molecular FormulaC10H16NO3S-
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC NameN-(1-adamantyl)sulfamate
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)/p-1
InChIKeySAYFDKDAUXBEPW-UHFFFAOYSA-M
XLogP1.00
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(1-adamantyl)sulfamate?
The IUPAC name of N-(1-adamantyl)sulfamate (CID 51861439) is N-(1-adamantyl)sulfamate.
What is the SMILES notation for N-(1-adamantyl)sulfamate?
The canonical SMILES for N-(1-adamantyl)sulfamate is O=S(=O)([O-])NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)sulfamate?
The InChIKey is SAYFDKDAUXBEPW-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of N-(1-adamantyl)sulfamate?
N-(1-adamantyl)sulfamate has a molecular weight of 230.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)sulfamate is sourced from PubChem (CID 51861439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).