2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane

C10H18ClNS — CID 130137835

IUPAC2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane
SMILESClCCN1CCC2(CCSCC2)C1
InChIInChI=1S/C10H18ClNS/c11-4-6-12-5-1-10(9-12)2-7-13-8-3-10/h1-9H2
InChIKeyVAEYGOQDCIXKHY-UHFFFAOYSA-N
MW219.78 g/mol
LogP2.44
Rot. Bonds2

About 2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane

2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane (PubChem CID 130137835) has the molecular formula C10H18ClNS and a molecular weight of 219.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane
PubChem CID130137835
Molecular FormulaC10H18ClNS
Molecular Weight219.78 g/mol
Exact Mass219.08
IUPAC Name2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane
SMILESClCCN1CCC2(CCSCC2)C1
InChIInChI=1S/C10H18ClNS/c11-4-6-12-5-1-10(9-12)2-7-13-8-3-10/h1-9H2
InChIKeyVAEYGOQDCIXKHY-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.78
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane?
The IUPAC name of 2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane (CID 130137835) is 2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane is ClCCN1CCC2(CCSCC2)C1.
What is the InChIKey of 2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane?
The InChIKey is VAEYGOQDCIXKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNS/c11-4-6-12-5-1-10(9-12)2-7-13-8-3-10/h1-9H2.
What are the key properties of 2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane?
2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane has a molecular weight of 219.78 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane is sourced from PubChem (CID 130137835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).