2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide

C8H15IN2O3S — CID 137379990

IUPAC2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide
SMILESNS(=O)(=O)C1CN(CC2CCCO2)C1I
InChIInChI=1S/C8H15IN2O3S/c9-8-7(15(10,12)13)5-11(8)4-6-2-1-3-14-6/h6-8H,1-5H2,(H2,10,12,13)
InChIKeyOTDWEMMAZLJOAO-UHFFFAOYSA-N
MW346.19 g/mol
LogP-0.10
Rot. Bonds3

About 2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide

2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide (PubChem CID 137379990) has the molecular formula C8H15IN2O3S and a molecular weight of 346.19 g/mol. Its IUPAC name is 2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide.

Molecular Properties

Compound Name2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide
PubChem CID137379990
Molecular FormulaC8H15IN2O3S
Molecular Weight346.19 g/mol
Exact Mass345.98
IUPAC Name2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide
SMILESNS(=O)(=O)C1CN(CC2CCCO2)C1I
InChIInChI=1S/C8H15IN2O3S/c9-8-7(15(10,12)13)5-11(8)4-6-2-1-3-14-6/h6-8H,1-5H2,(H2,10,12,13)
InChIKeyOTDWEMMAZLJOAO-UHFFFAOYSA-N
XLogP-0.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(oxolan-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 84583277
1-(oxolan-2-ylmethyl)azetidin-3-amine
CID 63760708
[(2R)-oxolan-2-yl]methanamine
CID 2734124
2-[(sulfamoylamino)methyl]oxolane
CID 68548773
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
4-(oxan-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 71940074
[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine
CID 43591930
2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 83684198
3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 103601172
2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
CID 106495993
1-[2-(oxolan-2-yl)acetyl]piperidine-3-sulfonamide
CID 64867820
3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 7026051

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide?
The IUPAC name of 2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide (CID 137379990) is 2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide.
What is the SMILES notation for 2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide?
The canonical SMILES for 2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide is NS(=O)(=O)C1CN(CC2CCCO2)C1I.
What is the InChIKey of 2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide?
The InChIKey is OTDWEMMAZLJOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2O3S/c9-8-7(15(10,12)13)5-11(8)4-6-2-1-3-14-6/h6-8H,1-5H2,(H2,10,12,13).
What are the key properties of 2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide?
2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide has a molecular weight of 346.19 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(oxolan-2-ylmethyl)azetidine-3-sulfonamide is sourced from PubChem (CID 137379990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).