1-methyliodanuidylsulfonylpiperidine

C6H13INO2S- — CID 147964763

IUPAC1-methyliodanuidylsulfonylpiperidine
SMILESC[I-]S(=O)(=O)N1CCCCC1
InChIInChI=1S/C6H13INO2S/c1-7-11(9,10)8-5-3-2-4-6-8/h2-6H2,1H3/q-1
InChIKeyCPBJEYVKLUDSID-UHFFFAOYSA-N
MW290.15 g/mol
LogP-2.56
Rot. Bonds2

About 1-methyliodanuidylsulfonylpiperidine

1-methyliodanuidylsulfonylpiperidine (PubChem CID 147964763) has the molecular formula C6H13INO2S- and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-methyliodanuidylsulfonylpiperidine.

Molecular Properties

Compound Name1-methyliodanuidylsulfonylpiperidine
PubChem CID147964763
Molecular FormulaC6H13INO2S-
Molecular Weight290.15 g/mol
Exact Mass289.97
IUPAC Name1-methyliodanuidylsulfonylpiperidine
SMILESC[I-]S(=O)(=O)N1CCCCC1
InChIInChI=1S/C6H13INO2S/c1-7-11(9,10)8-5-3-2-4-6-8/h2-6H2,1H3/q-1
InChIKeyCPBJEYVKLUDSID-UHFFFAOYSA-N
XLogP-2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 5-2.56
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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Frequently Asked Questions

What is the IUPAC name of 1-methyliodanuidylsulfonylpiperidine?
The IUPAC name of 1-methyliodanuidylsulfonylpiperidine (CID 147964763) is 1-methyliodanuidylsulfonylpiperidine.
What is the SMILES notation for 1-methyliodanuidylsulfonylpiperidine?
The canonical SMILES for 1-methyliodanuidylsulfonylpiperidine is C[I-]S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-methyliodanuidylsulfonylpiperidine?
The InChIKey is CPBJEYVKLUDSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13INO2S/c1-7-11(9,10)8-5-3-2-4-6-8/h2-6H2,1H3/q-1.
What are the key properties of 1-methyliodanuidylsulfonylpiperidine?
1-methyliodanuidylsulfonylpiperidine has a molecular weight of 290.15 g/mol, XLogP of -2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyliodanuidylsulfonylpiperidine is sourced from PubChem (CID 147964763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).