N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide

C9H16N2O4S — CID 18723155

IUPACN-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCS(=O)(=O)C1(C(=O)NO)CC2CCC(C1)N2
InChIInChI=1S/C9H16N2O4S/c1-16(14,15)9(8(12)11-13)4-6-2-3-7(5-9)10-6/h6-7,10,13H,2-5H2,1H3,(H,11,12)
InChIKeyVMRJRDRVMUXSOH-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.81
Rot. Bonds2

About N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide

N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 18723155) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID18723155
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC NameN-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCS(=O)(=O)C1(C(=O)NO)CC2CCC(C1)N2
InChIInChI=1S/C9H16N2O4S/c1-16(14,15)9(8(12)11-13)4-6-2-3-7(5-9)10-6/h6-7,10,13H,2-5H2,1H3,(H,11,12)
InChIKeyVMRJRDRVMUXSOH-UHFFFAOYSA-N
XLogP-0.81
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 18723155) is N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide is CS(=O)(=O)C1(C(=O)NO)CC2CCC(C1)N2.
What is the InChIKey of N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is VMRJRDRVMUXSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-16(14,15)9(8(12)11-13)4-6-2-3-7(5-9)10-6/h6-7,10,13H,2-5H2,1H3,(H,11,12).
What are the key properties of N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 248.30 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 18723155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).