1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

C10H14N2O2S — CID 129497461

IUPAC1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESC[C@@H](CO)n1c2c(c(=S)[nH]c1=O)CCC2
InChIInChI=1S/C10H14N2O2S/c1-6(5-13)12-8-4-2-3-7(8)9(15)11-10(12)14/h6,13H,2-5H2,1H3,(H,11,14,15)/t6-/m0/s1
InChIKeyHAJUHVPFRAGNPG-LURJTMIESA-N
MW226.30 g/mol
LogP0.95
Rot. Bonds2

About 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 129497461) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID129497461
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESC[C@@H](CO)n1c2c(c(=S)[nH]c1=O)CCC2
InChIInChI=1S/C10H14N2O2S/c1-6(5-13)12-8-4-2-3-7(8)9(15)11-10(12)14/h6,13H,2-5H2,1H3,(H,11,14,15)/t6-/m0/s1
InChIKeyHAJUHVPFRAGNPG-LURJTMIESA-N
XLogP0.95
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 129497461) is 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is C[C@@H](CO)n1c2c(c(=S)[nH]c1=O)CCC2.
What is the InChIKey of 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is HAJUHVPFRAGNPG-LURJTMIESA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6(5-13)12-8-4-2-3-7(8)9(15)11-10(12)14/h6,13H,2-5H2,1H3,(H,11,14,15)/t6-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 226.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxypropan-2-yl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 129497461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).