N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide

C6H10INO3S — CID 9196310

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
SMILESO=C(CI)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H10INO3S/c7-3-6(9)8-5-1-2-12(10,11)4-5/h5H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyOUECFDAOLKIWTR-YFKPBYRVSA-N
MW303.12 g/mol
LogP-0.28
Rot. Bonds2

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide (PubChem CID 9196310) has the molecular formula C6H10INO3S and a molecular weight of 303.12 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
PubChem CID9196310
Molecular FormulaC6H10INO3S
Molecular Weight303.12 g/mol
Exact Mass302.94
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
SMILESO=C(CI)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H10INO3S/c7-3-6(9)8-5-1-2-12(10,11)4-5/h5H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyOUECFDAOLKIWTR-YFKPBYRVSA-N
XLogP-0.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
N-(1,1-dioxothiolan-3-yl)carbamoyl iodide
CID 126633838
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N-(1,1-dioxothiolan-3-yl)-2-[2-(1,1-dioxothiolan-3-yl)hydrazinyl]acetamide
CID 18801502
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide (CID 9196310) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide is O=C(CI)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide?
The InChIKey is OUECFDAOLKIWTR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10INO3S/c7-3-6(9)8-5-1-2-12(10,11)4-5/h5H,1-4H2,(H,8,9)/t5-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide has a molecular weight of 303.12 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide is sourced from PubChem (CID 9196310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).