3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide

C7H10INO3S — CID 130368885

IUPAC3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)C12CC(I)(C1)C2
InChIInChI=1S/C7H10INO3S/c1-13(11,12)9-5(10)6-2-7(8,3-6)4-6/h2-4H2,1H3,(H,9,10)
InChIKeyNGJHLXFAMWHOCT-UHFFFAOYSA-N
MW315.13 g/mol
LogP0.42
Rot. Bonds2

About 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide

3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 130368885) has the molecular formula C7H10INO3S and a molecular weight of 315.13 g/mol. Its IUPAC name is 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID130368885
Molecular FormulaC7H10INO3S
Molecular Weight315.13 g/mol
Exact Mass314.94
IUPAC Name3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)C12CC(I)(C1)C2
InChIInChI=1S/C7H10INO3S/c1-13(11,12)9-5(10)6-2-7(8,3-6)4-6/h2-4H2,1H3,(H,9,10)
InChIKeyNGJHLXFAMWHOCT-UHFFFAOYSA-N
XLogP0.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide 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 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide (CID 130368885) is 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide is CS(=O)(=O)NC(=O)C12CC(I)(C1)C2.
What is the InChIKey of 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is NGJHLXFAMWHOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO3S/c1-13(11,12)9-5(10)6-2-7(8,3-6)4-6/h2-4H2,1H3,(H,9,10).
What are the key properties of 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 315.13 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 130368885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).