11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane

C15H20ClNS — CID 79433033

IUPAC11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane
SMILESClc1cccc(C2CNCCC23CCCSC3)c1
InChIInChI=1S/C15H20ClNS/c16-13-4-1-3-12(9-13)14-10-17-7-6-15(14)5-2-8-18-11-15/h1,3-4,9,14,17H,2,5-8,10-11H2
InChIKeyKKOPRENRPBRDDY-UHFFFAOYSA-N
MW281.85 g/mol
LogP3.93
Rot. Bonds1

About 11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane

11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane (PubChem CID 79433033) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is 11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane
PubChem CID79433033
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC Name11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane
SMILESClc1cccc(C2CNCCC23CCCSC3)c1
InChIInChI=1S/C15H20ClNS/c16-13-4-1-3-12(9-13)14-10-17-7-6-15(14)5-2-8-18-11-15/h1,3-4,9,14,17H,2,5-8,10-11H2
InChIKeyKKOPRENRPBRDDY-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane
CID 79435047
6-phenyl-2-thia-8-azaspiro[4.5]decane
CID 79309118
5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79430330
6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane
CID 79430003
3-(3-chlorophenyl)-4,4-dipropylpiperidine
CID 79432544
11-methyl-2-thia-9-azaspiro[5.5]undecane
CID 79320397
5-(4-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79434527
5-(2-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79454124
5-(3-bromophenyl)-9-oxa-3-azaspiro[5.6]dodecane
CID 79433530
(4R)-4-(3-chlorophenyl)-3,3-diethylpyrrolidine
CID 125451105
6-(3-chlorophenyl)-1,4-oxazepane
CID 82284235
3-(3-chlorophenyl)azetidine;hydrochloride
CID 72698856

Frequently Asked Questions

What is the IUPAC name of 11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane?
The IUPAC name of 11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane (CID 79433033) is 11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane?
The canonical SMILES for 11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane is Clc1cccc(C2CNCCC23CCCSC3)c1.
What is the InChIKey of 11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane?
The InChIKey is KKOPRENRPBRDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNS/c16-13-4-1-3-12(9-13)14-10-17-7-6-15(14)5-2-8-18-11-15/h1,3-4,9,14,17H,2,5-8,10-11H2.
What are the key properties of 11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane?
11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane has a molecular weight of 281.85 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-chlorophenyl)-2-thia-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79433033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).