1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

C11H15N3O2S — CID 671961

IUPAC1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=c1[nH]c(=S)c2c(n1N1CCOCC1)CCC2
InChIInChI=1S/C11H15N3O2S/c15-11-12-10(17)8-2-1-3-9(8)14(11)13-4-6-16-7-5-13/h1-7H2,(H,12,15,17)
InChIKeyICPWWMXXXGZXQW-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.36
Rot. Bonds1

About 1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 671961) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID671961
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=c1[nH]c(=S)c2c(n1N1CCOCC1)CCC2
InChIInChI=1S/C11H15N3O2S/c15-11-12-10(17)8-2-1-3-9(8)14(11)13-4-6-16-7-5-13/h1-7H2,(H,12,15,17)
InChIKeyICPWWMXXXGZXQW-UHFFFAOYSA-N
XLogP0.36
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 671961) is 1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is O=c1[nH]c(=S)c2c(n1N1CCOCC1)CCC2.
What is the InChIKey of 1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is ICPWWMXXXGZXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-11-12-10(17)8-2-1-3-9(8)14(11)13-4-6-16-7-5-13/h1-7H2,(H,12,15,17).
What are the key properties of 1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 253.33 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 671961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).