3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one

C10H14N2O3S — CID 163932601

IUPAC3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one
SMILESCc1oc(N2CCOCC2)cc(=O)c1SN
InChIInChI=1S/C10H14N2O3S/c1-7-10(16-11)8(13)6-9(15-7)12-2-4-14-5-3-12/h6H,2-5,11H2,1H3
InChIKeyRJYQHSUCQUXIFB-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.75
Rot. Bonds2

About 3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one

3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one (PubChem CID 163932601) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one.

Molecular Properties

Compound Name3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one
PubChem CID163932601
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one
SMILESCc1oc(N2CCOCC2)cc(=O)c1SN
InChIInChI=1S/C10H14N2O3S/c1-7-10(16-11)8(13)6-9(15-7)12-2-4-14-5-3-12/h6H,2-5,11H2,1H3
InChIKeyRJYQHSUCQUXIFB-UHFFFAOYSA-N
XLogP0.75
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one?
The IUPAC name of 3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one (CID 163932601) is 3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one.
What is the SMILES notation for 3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one?
The canonical SMILES for 3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one is Cc1oc(N2CCOCC2)cc(=O)c1SN.
What is the InChIKey of 3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one?
The InChIKey is RJYQHSUCQUXIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-10(16-11)8(13)6-9(15-7)12-2-4-14-5-3-12/h6H,2-5,11H2,1H3.
What are the key properties of 3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one?
3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one has a molecular weight of 242.30 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminosulfanyl-2-methyl-6-morpholin-4-ylpyran-4-one is sourced from PubChem (CID 163932601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).