N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide

C10H17N5O5S — CID 73331645

IUPACN-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide
SMILESO=[N+]([O-])c1cncn1CS(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C10H17N5O5S/c16-15(17)10-7-11-8-14(10)9-21(18,19)12-1-2-13-3-5-20-6-4-13/h7-8,12H,1-6,9H2
InChIKeyUNSZTECCTNUANG-UHFFFAOYSA-N
MW319.34 g/mol
LogP-1.00
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide

N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide (PubChem CID 73331645) has the molecular formula C10H17N5O5S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide
PubChem CID73331645
Molecular FormulaC10H17N5O5S
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC NameN-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide
SMILESO=[N+]([O-])c1cncn1CS(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C10H17N5O5S/c16-15(17)10-7-11-8-14(10)9-21(18,19)12-1-2-13-3-5-20-6-4-13/h7-8,12H,1-6,9H2
InChIKeyUNSZTECCTNUANG-UHFFFAOYSA-N
XLogP-1.00
TPSA119.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-1.00
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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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide (CID 73331645) is N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide is O=[N+]([O-])c1cncn1CS(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide?
The InChIKey is UNSZTECCTNUANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O5S/c16-15(17)10-7-11-8-14(10)9-21(18,19)12-1-2-13-3-5-20-6-4-13/h7-8,12H,1-6,9H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide?
N-(2-morpholin-4-ylethyl)-1-(5-nitroimidazol-1-yl)methanesulfonamide has a molecular weight of 319.34 g/mol, XLogP of -1.00, 7 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)-1-(5-nitroimidazol-1-yl)methanesulfonamide is sourced from PubChem (CID 73331645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).