(spiro[4.5]decan-10-ylideneamino)thiourea

C11H19N3S — CID 4031588

IUPAC(spiro[4.5]decan-10-ylideneamino)thiourea
SMILESNC(=S)NN=C1CCCCC12CCCC2
InChIInChI=1S/C11H19N3S/c12-10(15)14-13-9-5-1-2-6-11(9)7-3-4-8-11/h1-8H2,(H3,12,14,15)
InChIKeyOIBGVDARNXYWBU-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.31
Rot. Bonds1

About (spiro[4.5]decan-10-ylideneamino)thiourea

(spiro[4.5]decan-10-ylideneamino)thiourea (PubChem CID 4031588) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is (spiro[4.5]decan-10-ylideneamino)thiourea.

Molecular Properties

Compound Name(spiro[4.5]decan-10-ylideneamino)thiourea
PubChem CID4031588
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name(spiro[4.5]decan-10-ylideneamino)thiourea
SMILESNC(=S)NN=C1CCCCC12CCCC2
InChIInChI=1S/C11H19N3S/c12-10(15)14-13-9-5-1-2-6-11(9)7-3-4-8-11/h1-8H2,(H3,12,14,15)
InChIKeyOIBGVDARNXYWBU-UHFFFAOYSA-N
XLogP2.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (spiro[4.5]decan-10-ylideneamino)thiourea?
The IUPAC name of (spiro[4.5]decan-10-ylideneamino)thiourea (CID 4031588) is (spiro[4.5]decan-10-ylideneamino)thiourea.
What is the SMILES notation for (spiro[4.5]decan-10-ylideneamino)thiourea?
The canonical SMILES for (spiro[4.5]decan-10-ylideneamino)thiourea is NC(=S)NN=C1CCCCC12CCCC2.
What is the InChIKey of (spiro[4.5]decan-10-ylideneamino)thiourea?
The InChIKey is OIBGVDARNXYWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c12-10(15)14-13-9-5-1-2-6-11(9)7-3-4-8-11/h1-8H2,(H3,12,14,15).
What are the key properties of (spiro[4.5]decan-10-ylideneamino)thiourea?
(spiro[4.5]decan-10-ylideneamino)thiourea has a molecular weight of 225.36 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (spiro[4.5]decan-10-ylideneamino)thiourea is sourced from PubChem (CID 4031588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).