molecular iodine;N-propan-2-ylidenemethanesulfonamide

C4H9I2NO2S — CID 160580662

IUPACmolecular iodine;N-propan-2-ylidenemethanesulfonamide
SMILESCC(C)=NS(C)(=O)=O.II
InChIInChI=1S/C4H9NO2S.I2/c1-4(2)5-8(3,6)7;1-2/h1-3H3;
InChIKeyRBSVRINDFZZGTK-UHFFFAOYSA-N
MW389.00 g/mol
LogP2.20
Rot. Bonds1

About molecular iodine;N-propan-2-ylidenemethanesulfonamide

molecular iodine;N-propan-2-ylidenemethanesulfonamide (PubChem CID 160580662) has the molecular formula C4H9I2NO2S and a molecular weight of 389.00 g/mol. Its IUPAC name is molecular iodine;N-propan-2-ylidenemethanesulfonamide.

Molecular Properties

Compound Namemolecular iodine;N-propan-2-ylidenemethanesulfonamide
PubChem CID160580662
Molecular FormulaC4H9I2NO2S
Molecular Weight389.00 g/mol
Exact Mass388.84
IUPAC Namemolecular iodine;N-propan-2-ylidenemethanesulfonamide
SMILESCC(C)=NS(C)(=O)=O.II
InChIInChI=1S/C4H9NO2S.I2/c1-4(2)5-8(3,6)7;1-2/h1-3H3;
InChIKeyRBSVRINDFZZGTK-UHFFFAOYSA-N
XLogP2.20
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.00
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-ylidenemethanesulfonamide
CID 13698441
N-pentan-3-ylidenemethanesulfonamide
CID 161602577

Frequently Asked Questions

What is the IUPAC name of molecular iodine;N-propan-2-ylidenemethanesulfonamide?
The IUPAC name of molecular iodine;N-propan-2-ylidenemethanesulfonamide (CID 160580662) is molecular iodine;N-propan-2-ylidenemethanesulfonamide.
What is the SMILES notation for molecular iodine;N-propan-2-ylidenemethanesulfonamide?
The canonical SMILES for molecular iodine;N-propan-2-ylidenemethanesulfonamide is CC(C)=NS(C)(=O)=O.II.
What is the InChIKey of molecular iodine;N-propan-2-ylidenemethanesulfonamide?
The InChIKey is RBSVRINDFZZGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.I2/c1-4(2)5-8(3,6)7;1-2/h1-3H3;.
What are the key properties of molecular iodine;N-propan-2-ylidenemethanesulfonamide?
molecular iodine;N-propan-2-ylidenemethanesulfonamide has a molecular weight of 389.00 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;N-propan-2-ylidenemethanesulfonamide is sourced from PubChem (CID 160580662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).