4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine

C10H16N4O5S — CID 73331787

IUPAC4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine
SMILESCc1ncc([N+](=O)[O-])n1CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H16N4O5S/c1-9-11-8-10(14(15)16)13(9)4-7-20(17,18)12-2-5-19-6-3-12/h8H,2-7H2,1H3
InChIKeyDEUBUSKTPBYLEP-UHFFFAOYSA-N
MW304.33 g/mol
LogP-0.24
Rot. Bonds5

About 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine

4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine (PubChem CID 73331787) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine
PubChem CID73331787
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Name4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine
SMILESCc1ncc([N+](=O)[O-])n1CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H16N4O5S/c1-9-11-8-10(14(15)16)13(9)4-7-20(17,18)12-2-5-19-6-3-12/h8H,2-7H2,1H3
InChIKeyDEUBUSKTPBYLEP-UHFFFAOYSA-N
XLogP-0.24
TPSA107.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine?
The IUPAC name of 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine (CID 73331787) is 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine.
What is the SMILES notation for 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine?
The canonical SMILES for 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine is Cc1ncc([N+](=O)[O-])n1CCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine?
The InChIKey is DEUBUSKTPBYLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-9-11-8-10(14(15)16)13(9)4-7-20(17,18)12-2-5-19-6-3-12/h8H,2-7H2,1H3.
What are the key properties of 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine?
4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine has a molecular weight of 304.33 g/mol, XLogP of -0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfonyl]morpholine is sourced from PubChem (CID 73331787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).