11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane

C16H22FNS — CID 79951994

IUPAC11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane
SMILESCC1SCCCC12CCNCC2c1ccc(F)cc1
InChIInChI=1S/C16H22FNS/c1-12-16(7-2-10-19-12)8-9-18-11-15(16)13-3-5-14(17)6-4-13/h3-6,12,15,18H,2,7-11H2,1H3
InChIKeyUVPOOLUAPVVBJX-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.80
Rot. Bonds1

About 11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane

11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane (PubChem CID 79951994) has the molecular formula C16H22FNS and a molecular weight of 279.42 g/mol. Its IUPAC name is 11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane
PubChem CID79951994
Molecular FormulaC16H22FNS
Molecular Weight279.42 g/mol
Exact Mass279.15
IUPAC Name11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane
SMILESCC1SCCCC12CCNCC2c1ccc(F)cc1
InChIInChI=1S/C16H22FNS/c1-12-16(7-2-10-19-12)8-9-18-11-15(16)13-3-5-14(17)6-4-13/h3-6,12,15,18H,2,7-11H2,1H3
InChIKeyUVPOOLUAPVVBJX-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79433045
5-(4-fluorophenyl)-9,9-dimethyl-3-azaspiro[5.6]dodecane
CID 79432872
5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79431795
5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane
CID 79434074
3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane
CID 79437998
3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine
CID 114867310
5-(4-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79434527
5-(4-methylphenyl)-3-azaspiro[5.6]dodecane
CID 79441835
6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane
CID 79435047
3-(4-fluorophenyl)-4-(methoxymethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine
CID 174806788
3'-(4-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
CID 82855837
5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane
CID 79454886

Frequently Asked Questions

What is the IUPAC name of 11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane?
The IUPAC name of 11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane (CID 79951994) is 11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane?
The canonical SMILES for 11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane is CC1SCCCC12CCNCC2c1ccc(F)cc1.
What is the InChIKey of 11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane?
The InChIKey is UVPOOLUAPVVBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNS/c1-12-16(7-2-10-19-12)8-9-18-11-15(16)13-3-5-14(17)6-4-13/h3-6,12,15,18H,2,7-11H2,1H3.
What are the key properties of 11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane?
11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane has a molecular weight of 279.42 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79951994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).