N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide

C7H12N2O4S — CID 71790518

IUPACN,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC2CC1C(=O)O2
InChIInChI=1S/C7H12N2O4S/c1-8(2)14(11,12)9-4-5-3-6(9)7(10)13-5/h5-6H,3-4H2,1-2H3
InChIKeyDLAVMGKWULPFQQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP-1.21
Rot. Bonds2

About N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide

N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide (PubChem CID 71790518) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide
PubChem CID71790518
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC NameN,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC2CC1C(=O)O2
InChIInChI=1S/C7H12N2O4S/c1-8(2)14(11,12)9-4-5-3-6(9)7(10)13-5/h5-6H,3-4H2,1-2H3
InChIKeyDLAVMGKWULPFQQ-UHFFFAOYSA-N
XLogP-1.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide?
The IUPAC name of N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide (CID 71790518) is N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide is CN(C)S(=O)(=O)N1CC2CC1C(=O)O2.
What is the InChIKey of N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide?
The InChIKey is DLAVMGKWULPFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c1-8(2)14(11,12)9-4-5-3-6(9)7(10)13-5/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide?
N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide has a molecular weight of 220.25 g/mol, XLogP of -1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-sulfonamide is sourced from PubChem (CID 71790518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).