[1-(2-iodoethyl)cyclopropyl] hydrogen sulfite

C5H9IO3S — CID 121433333

IUPAC[1-(2-iodoethyl)cyclopropyl] hydrogen sulfite
SMILESO=S(O)OC1(CCI)CC1
InChIInChI=1S/C5H9IO3S/c6-4-3-5(1-2-5)9-10(7)8/h1-4H2,(H,7,8)
InChIKeyAAQCPBPTZFOJMS-UHFFFAOYSA-N
MW276.10 g/mol
LogP1.50
Rot. Bonds4

About [1-(2-iodoethyl)cyclopropyl] hydrogen sulfite

[1-(2-iodoethyl)cyclopropyl] hydrogen sulfite (PubChem CID 121433333) has the molecular formula C5H9IO3S and a molecular weight of 276.10 g/mol. Its IUPAC name is [1-(2-iodoethyl)cyclopropyl] hydrogen sulfite.

Molecular Properties

Compound Name[1-(2-iodoethyl)cyclopropyl] hydrogen sulfite
PubChem CID121433333
Molecular FormulaC5H9IO3S
Molecular Weight276.10 g/mol
Exact Mass275.93
IUPAC Name[1-(2-iodoethyl)cyclopropyl] hydrogen sulfite
SMILESO=S(O)OC1(CCI)CC1
InChIInChI=1S/C5H9IO3S/c6-4-3-5(1-2-5)9-10(7)8/h1-4H2,(H,7,8)
InChIKeyAAQCPBPTZFOJMS-UHFFFAOYSA-N
XLogP1.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-iodoethyl)cyclopropyl] hydrogen sulfite?
The IUPAC name of [1-(2-iodoethyl)cyclopropyl] hydrogen sulfite (CID 121433333) is [1-(2-iodoethyl)cyclopropyl] hydrogen sulfite.
What is the SMILES notation for [1-(2-iodoethyl)cyclopropyl] hydrogen sulfite?
The canonical SMILES for [1-(2-iodoethyl)cyclopropyl] hydrogen sulfite is O=S(O)OC1(CCI)CC1.
What is the InChIKey of [1-(2-iodoethyl)cyclopropyl] hydrogen sulfite?
The InChIKey is AAQCPBPTZFOJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IO3S/c6-4-3-5(1-2-5)9-10(7)8/h1-4H2,(H,7,8).
What are the key properties of [1-(2-iodoethyl)cyclopropyl] hydrogen sulfite?
[1-(2-iodoethyl)cyclopropyl] hydrogen sulfite has a molecular weight of 276.10 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-iodoethyl)cyclopropyl] hydrogen sulfite is sourced from PubChem (CID 121433333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).