(oxolan-2-ylmethylamino) thiohypoiodite

C5H10INOS — CID 145401732

IUPAC(oxolan-2-ylmethylamino) thiohypoiodite
SMILESISNCC1CCCO1
InChIInChI=1S/C5H10INOS/c6-9-7-4-5-2-1-3-8-5/h5,7H,1-4H2
InChIKeyDQFCOZCMZCYGNG-UHFFFAOYSA-N
MW259.11 g/mol
LogP1.75
Rot. Bonds3

About (oxolan-2-ylmethylamino) thiohypoiodite

(oxolan-2-ylmethylamino) thiohypoiodite (PubChem CID 145401732) has the molecular formula C5H10INOS and a molecular weight of 259.11 g/mol. Its IUPAC name is (oxolan-2-ylmethylamino) thiohypoiodite.

Molecular Properties

Compound Name(oxolan-2-ylmethylamino) thiohypoiodite
PubChem CID145401732
Molecular FormulaC5H10INOS
Molecular Weight259.11 g/mol
Exact Mass258.95
IUPAC Name(oxolan-2-ylmethylamino) thiohypoiodite
SMILESISNCC1CCCO1
InChIInChI=1S/C5H10INOS/c6-9-7-4-5-2-1-3-8-5/h5,7H,1-4H2
InChIKeyDQFCOZCMZCYGNG-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
[(2R)-oxolan-2-yl]methylhydrazine;dihydrochloride
CID 66643106
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-methyl-1-[(2R)-oxolan-2-yl]methanamine;molecular hydrogen
CID 142806903
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
1,3-bis(oxolan-2-ylmethyl)thiourea
CID 19653607
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683831
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354

Frequently Asked Questions

What is the IUPAC name of (oxolan-2-ylmethylamino) thiohypoiodite?
The IUPAC name of (oxolan-2-ylmethylamino) thiohypoiodite (CID 145401732) is (oxolan-2-ylmethylamino) thiohypoiodite.
What is the SMILES notation for (oxolan-2-ylmethylamino) thiohypoiodite?
The canonical SMILES for (oxolan-2-ylmethylamino) thiohypoiodite is ISNCC1CCCO1.
What is the InChIKey of (oxolan-2-ylmethylamino) thiohypoiodite?
The InChIKey is DQFCOZCMZCYGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INOS/c6-9-7-4-5-2-1-3-8-5/h5,7H,1-4H2.
What are the key properties of (oxolan-2-ylmethylamino) thiohypoiodite?
(oxolan-2-ylmethylamino) thiohypoiodite has a molecular weight of 259.11 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (oxolan-2-ylmethylamino) thiohypoiodite is sourced from PubChem (CID 145401732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).