1-iodo-3-methyliodanuidylsulfonylpropane

C4H9I2O2S- — CID 168819155

IUPAC1-iodo-3-methyliodanuidylsulfonylpropane
SMILESC[I-]S(=O)(=O)CCCI
InChIInChI=1S/C4H9I2O2S/c1-6-9(7,8)4-2-3-5/h2-4H2,1H3/q-1
InChIKeyYPYXJFYNSMVBJW-UHFFFAOYSA-N
MW374.99 g/mol
LogP-2.14
Rot. Bonds4

About 1-iodo-3-methyliodanuidylsulfonylpropane

1-iodo-3-methyliodanuidylsulfonylpropane (PubChem CID 168819155) has the molecular formula C4H9I2O2S- and a molecular weight of 374.99 g/mol. Its IUPAC name is 1-iodo-3-methyliodanuidylsulfonylpropane.

Molecular Properties

Compound Name1-iodo-3-methyliodanuidylsulfonylpropane
PubChem CID168819155
Molecular FormulaC4H9I2O2S-
Molecular Weight374.99 g/mol
Exact Mass374.84
IUPAC Name1-iodo-3-methyliodanuidylsulfonylpropane
SMILESC[I-]S(=O)(=O)CCCI
InChIInChI=1S/C4H9I2O2S/c1-6-9(7,8)4-2-3-5/h2-4H2,1H3/q-1
InChIKeyYPYXJFYNSMVBJW-UHFFFAOYSA-N
XLogP-2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.99
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfonyl-3-iodopropane
CID 65096893
CID 122596265
CID 122596265
1-iodo-3-methylsulfonylpropane;3-methylsulfanylpropan-1-ol;3-methylsulfonylpropan-1-ol
CID 158320314
diethyl 2-amino-2-(3-iodopropylsulfonyl)propanedioate
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2-(2-iodoethylsulfonyl)-2-methylpropane
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N-(5-iodopentyl)methanesulfonamide
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1-iodopentane;trifluoromethanesulfonic acid
CID 174771311
1,11-diiodoundecane
CID 4060847
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
CID 146534327
N-ethyl-N-(4-iodobutyl)methanesulfonamide
CID 89182748
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
CID 106846595

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methyliodanuidylsulfonylpropane?
The IUPAC name of 1-iodo-3-methyliodanuidylsulfonylpropane (CID 168819155) is 1-iodo-3-methyliodanuidylsulfonylpropane.
What is the SMILES notation for 1-iodo-3-methyliodanuidylsulfonylpropane?
The canonical SMILES for 1-iodo-3-methyliodanuidylsulfonylpropane is C[I-]S(=O)(=O)CCCI.
What is the InChIKey of 1-iodo-3-methyliodanuidylsulfonylpropane?
The InChIKey is YPYXJFYNSMVBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9I2O2S/c1-6-9(7,8)4-2-3-5/h2-4H2,1H3/q-1.
What are the key properties of 1-iodo-3-methyliodanuidylsulfonylpropane?
1-iodo-3-methyliodanuidylsulfonylpropane has a molecular weight of 374.99 g/mol, XLogP of -2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methyliodanuidylsulfonylpropane is sourced from PubChem (CID 168819155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).