spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione

C11H16N2S — CID 9429848

IUPACspiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione
SMILESS=C1NC2=C(CCC2)C2(CCCC2)N1
InChIInChI=1S/C11H16N2S/c14-10-12-9-5-3-4-8(9)11(13-10)6-1-2-7-11/h1-7H2,(H2,12,13,14)
InChIKeyZEZYTDGHOMCZJC-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.21
Rot. Bonds

About spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione

spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione (PubChem CID 9429848) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione.

Molecular Properties

Compound Namespiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione
PubChem CID9429848
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Namespiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione
SMILESS=C1NC2=C(CCC2)C2(CCCC2)N1
InChIInChI=1S/C11H16N2S/c14-10-12-9-5-3-4-8(9)11(13-10)6-1-2-7-11/h1-7H2,(H2,12,13,14)
InChIKeyZEZYTDGHOMCZJC-UHFFFAOYSA-N
XLogP2.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione?
The IUPAC name of spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione (CID 9429848) is spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione.
What is the SMILES notation for spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione?
The canonical SMILES for spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione is S=C1NC2=C(CCC2)C2(CCCC2)N1.
What is the InChIKey of spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione?
The InChIKey is ZEZYTDGHOMCZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c14-10-12-9-5-3-4-8(9)11(13-10)6-1-2-7-11/h1-7H2,(H2,12,13,14).
What are the key properties of spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione?
spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione has a molecular weight of 208.33 g/mol, XLogP of 2.21, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione is sourced from PubChem (CID 9429848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).