1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide

C10H17N5O4S — CID 90040979

IUPAC1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESO=[N+]([O-])c1nccn1CS(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C10H17N5O4S/c16-15(17)10-11-3-8-14(10)9-20(18,19)12-4-7-13-5-1-2-6-13/h3,8,12H,1-2,4-7,9H2
InChIKeyRXHWBPZWWJDXQL-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.24
Rot. Bonds7

About 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide

1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 90040979) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID90040979
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESO=[N+]([O-])c1nccn1CS(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C10H17N5O4S/c16-15(17)10-11-3-8-14(10)9-20(18,19)12-4-7-13-5-1-2-6-13/h3,8,12H,1-2,4-7,9H2
InChIKeyRXHWBPZWWJDXQL-UHFFFAOYSA-N
XLogP-0.24
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
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'}

Analyze 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 90040979) is 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide is O=[N+]([O-])c1nccn1CS(=O)(=O)NCCN1CCCC1.
What is the InChIKey of 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is RXHWBPZWWJDXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c16-15(17)10-11-3-8-14(10)9-20(18,19)12-4-7-13-5-1-2-6-13/h3,8,12H,1-2,4-7,9H2.
What are the key properties of 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 303.34 g/mol, XLogP of -0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitroimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 90040979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).