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

C8H14N4O5S — CID 90063254

IUPACN-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
SMILESCOCCNS(=O)(=O)CCn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C8H14N4O5S/c1-17-6-3-10-18(15,16)7-5-11-4-2-9-8(11)12(13)14/h2,4,10H,3,5-7H2,1H3
InChIKeyRTFTVTFLSSYJOM-UHFFFAOYSA-N
MW278.29 g/mol
LogP-0.64
Rot. Bonds8

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

N-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide (PubChem CID 90063254) has the molecular formula C8H14N4O5S and a molecular weight of 278.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
PubChem CID90063254
Molecular FormulaC8H14N4O5S
Molecular Weight278.29 g/mol
Exact Mass278.07
IUPAC NameN-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
SMILESCOCCNS(=O)(=O)CCn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C8H14N4O5S/c1-17-6-3-10-18(15,16)7-5-11-4-2-9-8(11)12(13)14/h2,4,10H,3,5-7H2,1H3
InChIKeyRTFTVTFLSSYJOM-UHFFFAOYSA-N
XLogP-0.64
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 5-0.64
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-nitroimidazol-1-yl)ethanesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide (CID 90063254) is N-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide is COCCNS(=O)(=O)CCn1ccnc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
The InChIKey is RTFTVTFLSSYJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O5S/c1-17-6-3-10-18(15,16)7-5-11-4-2-9-8(11)12(13)14/h2,4,10H,3,5-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
N-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide has a molecular weight of 278.29 g/mol, XLogP of -0.64, 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-nitroimidazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 90063254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).