2-iodo-1-thiomorpholin-4-ylethanone

C6H10INOS — CID 163792148

IUPAC2-iodo-1-thiomorpholin-4-ylethanone
SMILESO=C(CI)N1CCSCC1
InChIInChI=1S/C6H10INOS/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
InChIKeyMXSSZWALXIRWEL-UHFFFAOYSA-N
MW271.12 g/mol
LogP1.00
Rot. Bonds1

About 2-iodo-1-thiomorpholin-4-ylethanone

2-iodo-1-thiomorpholin-4-ylethanone (PubChem CID 163792148) has the molecular formula C6H10INOS and a molecular weight of 271.12 g/mol. Its IUPAC name is 2-iodo-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-iodo-1-thiomorpholin-4-ylethanone
PubChem CID163792148
Molecular FormulaC6H10INOS
Molecular Weight271.12 g/mol
Exact Mass270.95
IUPAC Name2-iodo-1-thiomorpholin-4-ylethanone
SMILESO=C(CI)N1CCSCC1
InChIInChI=1S/C6H10INOS/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
InChIKeyMXSSZWALXIRWEL-UHFFFAOYSA-N
XLogP1.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 51.00
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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Related Compounds

2-amino-1-(1,4-thiazepan-4-yl)ethanone
CID 61419104
3-amino-1-thiomorpholin-4-ylbutan-1-one
CID 60835990
1-(1,4-thiazepan-4-yl)butan-1-one
CID 60774029
1-thiomorpholin-4-ylhexadecan-1-one
CID 54266223
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 66546739
3,3-dimethyl-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 62934719
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
CID 141282444
2-iodo-1-(1,2-thiazolidin-2-yl)ethanone
CID 163450539
3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one
CID 86996424
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
2-ethoxy-1-(1,4-thiazepan-4-yl)ethanone
CID 60776058
N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
CID 111040296

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-iodo-1-thiomorpholin-4-ylethanone (CID 163792148) is 2-iodo-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-iodo-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-iodo-1-thiomorpholin-4-ylethanone is O=C(CI)N1CCSCC1.
What is the InChIKey of 2-iodo-1-thiomorpholin-4-ylethanone?
The InChIKey is MXSSZWALXIRWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INOS/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2.
What are the key properties of 2-iodo-1-thiomorpholin-4-ylethanone?
2-iodo-1-thiomorpholin-4-ylethanone has a molecular weight of 271.12 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 163792148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).