N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide

C11H19N5O5S — CID 73331785

IUPACN-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
SMILESO=[N+]([O-])c1nccn1CCS(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C11H19N5O5S/c17-16(18)11-12-1-4-15(11)7-10-22(19,20)13-2-3-14-5-8-21-9-6-14/h1,4,13H,2-3,5-10H2
InChIKeyQANDADJGUXGHOM-UHFFFAOYSA-N
MW333.37 g/mol
LogP-0.96
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide

N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide (PubChem CID 73331785) has the molecular formula C11H19N5O5S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
PubChem CID73331785
Molecular FormulaC11H19N5O5S
Molecular Weight333.37 g/mol
Exact Mass333.11
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
SMILESO=[N+]([O-])c1nccn1CCS(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C11H19N5O5S/c17-16(18)11-12-1-4-15(11)7-10-22(19,20)13-2-3-14-5-8-21-9-6-14/h1,4,13H,2-3,5-10H2
InChIKeyQANDADJGUXGHOM-UHFFFAOYSA-N
XLogP-0.96
TPSA119.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazole-2-sulfonamide, 1-methyl-N-(2-(4-morpholinyl)ethyl)-, monohydrochloride
CID 3071459
N-(2-methoxyethyl)-1-(2-nitroimidazol-1-yl)methanesulfonamide
CID 73331498
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
N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
CID 73331646
N-(2-methoxyethyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
CID 73331784
4-[2-(2-Methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine
CID 73331787
N-(3-methoxypropyl)-2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfonamide
CID 73331789
2-(2-methyl-5-nitroimidazol-1-yl)-N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 73331790
2-(2-methyl-5-nitroimidazol-1-yl)-N-(3-morpholin-4-ylpropyl)ethanesulfonamide
CID 73331934
N-(2-methoxyethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide
CID 90063254
N-(2-methoxyethyl)-2-(4-nitroimidazol-1-yl)ethanesulfonamide
CID 137632618

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide (CID 73331785) is N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide is O=[N+]([O-])c1nccn1CCS(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
The InChIKey is QANDADJGUXGHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O5S/c17-16(18)11-12-1-4-15(11)7-10-22(19,20)13-2-3-14-5-8-21-9-6-14/h1,4,13H,2-3,5-10H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide?
N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide has a molecular weight of 333.37 g/mol, XLogP of -0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(2-nitroimidazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 73331785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).