6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane

C14H18ClNS — CID 79435047

IUPAC6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane
SMILESClc1ccc(C2CNCCC23CCSC3)cc1
InChIInChI=1S/C14H18ClNS/c15-12-3-1-11(2-4-12)13-9-16-7-5-14(13)6-8-17-10-14/h1-4,13,16H,5-10H2
InChIKeyXLYOWDJEDBJVFV-UHFFFAOYSA-N
MW267.82 g/mol
LogP3.54
Rot. Bonds1

About 6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane

6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane (PubChem CID 79435047) has the molecular formula C14H18ClNS and a molecular weight of 267.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane
PubChem CID79435047
Molecular FormulaC14H18ClNS
Molecular Weight267.82 g/mol
Exact Mass267.08
IUPAC Name6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane
SMILESClc1ccc(C2CNCCC23CCSC3)cc1
InChIInChI=1S/C14H18ClNS/c15-12-3-1-11(2-4-12)13-9-16-7-5-14(13)6-8-17-10-14/h1-4,13,16H,5-10H2
InChIKeyXLYOWDJEDBJVFV-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane?
The IUPAC name of 6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane (CID 79435047) is 6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane is Clc1ccc(C2CNCCC23CCSC3)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane?
The InChIKey is XLYOWDJEDBJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNS/c15-12-3-1-11(2-4-12)13-9-16-7-5-14(13)6-8-17-10-14/h1-4,13,16H,5-10H2.
What are the key properties of 6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane?
6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane has a molecular weight of 267.82 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 79435047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).