4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione

C10H15NO4S — CID 106103089

IUPAC4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione
SMILESCC1OCCC1(O)CN1C(=O)CSCC1=O
InChIInChI=1S/C10H15NO4S/c1-7-10(14,2-3-15-7)6-11-8(12)4-16-5-9(11)13/h7,14H,2-6H2,1H3
InChIKeyDMDNKTNSNUXZGW-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.37
Rot. Bonds2

About 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione

4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione (PubChem CID 106103089) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione
PubChem CID106103089
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione
SMILESCC1OCCC1(O)CN1C(=O)CSCC1=O
InChIInChI=1S/C10H15NO4S/c1-7-10(14,2-3-15-7)6-11-8(12)4-16-5-9(11)13/h7,14H,2-6H2,1H3
InChIKeyDMDNKTNSNUXZGW-UHFFFAOYSA-N
XLogP-0.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazolidine-2,4-dione
CID 106103142
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 114143758
1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one
CID 106103103
4-[(1-hydroxycyclohexyl)methyl]thiomorpholine-3,5-dione
CID 104570923
3-(methoxymethyl)-2-methyloxolan-3-ol
CID 82719325
1-[(3,5-dioxothiomorpholin-4-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113427880
2-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)oxolan-3-ol
CID 106103086
1-[(3,5-dioxothiomorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 104570524
2-methyl-3-pentyloxolan-3-ol
CID 82718337
1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 114143768
3-heptyl-2-methyloxolan-3-ol
CID 82718796
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione?
The IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione (CID 106103089) is 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione.
What is the SMILES notation for 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione?
The canonical SMILES for 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione is CC1OCCC1(O)CN1C(=O)CSCC1=O.
What is the InChIKey of 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione?
The InChIKey is DMDNKTNSNUXZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-7-10(14,2-3-15-7)6-11-8(12)4-16-5-9(11)13/h7,14H,2-6H2,1H3.
What are the key properties of 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione?
4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione has a molecular weight of 245.30 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione is sourced from PubChem (CID 106103089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).