N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide

C7H12N4O5S — CID 73331638

IUPACN-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide
SMILESCOCCNS(=O)(=O)Cn1cncc1[N+](=O)[O-]
InChIInChI=1S/C7H12N4O5S/c1-16-3-2-9-17(14,15)6-10-5-8-4-7(10)11(12)13/h4-5,9H,2-3,6H2,1H3
InChIKeyHQVHOGVSUWBRBY-UHFFFAOYSA-N
MW264.26 g/mol
LogP-0.69
Rot. Bonds7

About N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide

N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide (PubChem CID 73331638) has the molecular formula C7H12N4O5S and a molecular weight of 264.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide
PubChem CID73331638
Molecular FormulaC7H12N4O5S
Molecular Weight264.26 g/mol
Exact Mass264.05
IUPAC NameN-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide
SMILESCOCCNS(=O)(=O)Cn1cncc1[N+](=O)[O-]
InChIInChI=1S/C7H12N4O5S/c1-16-3-2-9-17(14,15)6-10-5-8-4-7(10)11(12)13/h4-5,9H,2-3,6H2,1H3
InChIKeyHQVHOGVSUWBRBY-UHFFFAOYSA-N
XLogP-0.69
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-0.69
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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Related Compounds

Dtp-348
CID 57413968
2-(2-Methyl-5-Nitro-1h-Imidazol-1-Yl)ethyl Sulfamate
CID 72712917
2-(2-Methyl-5-nitroimidazol-1-yl)ethanesulfonamide
CID 164627370
2-(2-Methyl-5-nitro-1-imidazolyl)ethyl methanesulfonate
CID 93141
Amino 2-(2-methyl-5-nitroimidazol-1-yl)ethyl sulfate
CID 91937184
amino N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]sulfamate
CID 91937185
N-(2-hydroxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide
CID 73211789
N-(2-methoxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide
CID 73331498
N-(2-hydroxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide
CID 73331640
N-(2-methoxyethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide
CID 73331641
N-(2-morpholin-4-ylethyl)-1-(4-nitroimidazol-1-yl)methanesulfonamide
CID 73331644
N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide
CID 73331645

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide (CID 73331638) is N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide is COCCNS(=O)(=O)Cn1cncc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide?
The InChIKey is HQVHOGVSUWBRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O5S/c1-16-3-2-9-17(14,15)6-10-5-8-4-7(10)11(12)13/h4-5,9H,2-3,6H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide?
N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide has a molecular weight of 264.26 g/mol, XLogP of -0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide is sourced from PubChem (CID 73331638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).