(morpholine-4-carbonylamino) thiohypoiodite

C5H9IN2O2S — CID 126604146

IUPAC(morpholine-4-carbonylamino) thiohypoiodite
SMILESO=C(NSI)N1CCOCC1
InChIInChI=1S/C5H9IN2O2S/c6-11-7-5(9)8-1-3-10-4-2-8/h1-4H2,(H,7,9)
InChIKeyKQULBEZMBDKWKK-UHFFFAOYSA-N
MW288.11 g/mol
LogP1.03
Rot. Bonds1

About (morpholine-4-carbonylamino) thiohypoiodite

(morpholine-4-carbonylamino) thiohypoiodite (PubChem CID 126604146) has the molecular formula C5H9IN2O2S and a molecular weight of 288.11 g/mol. Its IUPAC name is (morpholine-4-carbonylamino) thiohypoiodite.

Molecular Properties

Compound Name(morpholine-4-carbonylamino) thiohypoiodite
PubChem CID126604146
Molecular FormulaC5H9IN2O2S
Molecular Weight288.11 g/mol
Exact Mass287.94
IUPAC Name(morpholine-4-carbonylamino) thiohypoiodite
SMILESO=C(NSI)N1CCOCC1
InChIInChI=1S/C5H9IN2O2S/c6-11-7-5(9)8-1-3-10-4-2-8/h1-4H2,(H,7,9)
InChIKeyKQULBEZMBDKWKK-UHFFFAOYSA-N
XLogP1.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 51.03
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'}

Analyze (morpholine-4-carbonylamino) thiohypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(morpholine-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65451097
morpholine-4-carbohydrazide;hydrochloride
CID 138112583
N-morpholin-4-ylmorpholine-4-carboxamide
CID 116657345
N-acetylmorpholine-4-carboxamide
CID 102407930
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
2-(morpholine-4-carbonylamino)acetic acid
CID 18917961
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(2-amino-2-oxoethyl)morpholine-4-carboxamide
CID 115575796
butane;N-methylmorpholine-4-carboxamide;propane
CID 143336598
N-(propan-2-ylideneamino)morpholine-4-carboxamide
CID 130660233
N-propylmorpholine-4-carboxamide
CID 3410822
[iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone
CID 147456598

Frequently Asked Questions

What is the IUPAC name of (morpholine-4-carbonylamino) thiohypoiodite?
The IUPAC name of (morpholine-4-carbonylamino) thiohypoiodite (CID 126604146) is (morpholine-4-carbonylamino) thiohypoiodite.
What is the SMILES notation for (morpholine-4-carbonylamino) thiohypoiodite?
The canonical SMILES for (morpholine-4-carbonylamino) thiohypoiodite is O=C(NSI)N1CCOCC1.
What is the InChIKey of (morpholine-4-carbonylamino) thiohypoiodite?
The InChIKey is KQULBEZMBDKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IN2O2S/c6-11-7-5(9)8-1-3-10-4-2-8/h1-4H2,(H,7,9).
What are the key properties of (morpholine-4-carbonylamino) thiohypoiodite?
(morpholine-4-carbonylamino) thiohypoiodite has a molecular weight of 288.11 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (morpholine-4-carbonylamino) thiohypoiodite is sourced from PubChem (CID 126604146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).