N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide

C9H16N4O5S — CID 73331784

IUPACN-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
SMILESCOCCNS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
InChIInChI=1S/C9H16N4O5S/c1-8-10-7-9(13(14)15)12(8)4-6-19(16,17)11-3-5-18-2/h7,11H,3-6H2,1-2H3
InChIKeyDAGNZAVXPYSSEP-UHFFFAOYSA-N
MW292.32 g/mol
LogP-0.33
Rot. Bonds8

About N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide

N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide (PubChem CID 73331784) has the molecular formula C9H16N4O5S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
PubChem CID73331784
Molecular FormulaC9H16N4O5S
Molecular Weight292.32 g/mol
Exact Mass292.08
IUPAC NameN-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
SMILESCOCCNS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
InChIInChI=1S/C9H16N4O5S/c1-8-10-7-9(13(14)15)12(8)4-6-19(16,17)11-3-5-18-2/h7,11H,3-6H2,1-2H3
InChIKeyDAGNZAVXPYSSEP-UHFFFAOYSA-N
XLogP-0.33
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide (CID 73331784) is N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide is COCCNS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
The InChIKey is DAGNZAVXPYSSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O5S/c1-8-10-7-9(13(14)15)12(8)4-6-19(16,17)11-3-5-18-2/h7,11H,3-6H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide?
N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide has a molecular weight of 292.32 g/mol, XLogP of -0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 73331784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).