4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane

C16H23NS — CID 114285264

IUPAC4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane
SMILESCc1cccc(C2CNCCC23CSCC3C)c1
InChIInChI=1S/C16H23NS/c1-12-4-3-5-14(8-12)15-9-17-7-6-16(15)11-18-10-13(16)2/h3-5,8,13,15,17H,6-7,9-11H2,1-2H3
InChIKeyXUXKKNHQJCWGKF-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.44
Rot. Bonds1

About 4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane

4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane (PubChem CID 114285264) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane
PubChem CID114285264
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane
SMILESCc1cccc(C2CNCCC23CSCC3C)c1
InChIInChI=1S/C16H23NS/c1-12-4-3-5-14(8-12)15-9-17-7-6-16(15)11-18-10-13(16)2/h3-5,8,13,15,17H,6-7,9-11H2,1-2H3
InChIKeyXUXKKNHQJCWGKF-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318
4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79441377
6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
CID 79441983
3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441909
5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79433045
6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 79442419
10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
CID 79442268
5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79431795
(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
CID 125450470
3-(3-chlorophenyl)-4,4-dipropylpiperidine
CID 79432544

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane?
The IUPAC name of 4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane (CID 114285264) is 4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane is Cc1cccc(C2CNCCC23CSCC3C)c1.
What is the InChIKey of 4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane?
The InChIKey is XUXKKNHQJCWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-12-4-3-5-14(8-12)15-9-17-7-6-16(15)11-18-10-13(16)2/h3-5,8,13,15,17H,6-7,9-11H2,1-2H3.
What are the key properties of 4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane?
4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane has a molecular weight of 261.43 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 114285264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).