2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane

C15H27NS — CID 142647190

IUPAC2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane
SMILESCC(C)CC=C1CCC2(CC1)NCC(C)(C)S2
InChIInChI=1S/C15H27NS/c1-12(2)5-6-13-7-9-15(10-8-13)16-11-14(3,4)17-15/h6,12,16H,5,7-11H2,1-4H3/b13-6-
InChIKeySHOIEOPYEOCZFD-MLPAPPSSSA-N
MW253.45 g/mol
LogP4.34
Rot. Bonds2

About 2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane

2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane (PubChem CID 142647190) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane
PubChem CID142647190
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane
SMILESCC(C)CC=C1CCC2(CC1)NCC(C)(C)S2
InChIInChI=1S/C15H27NS/c1-12(2)5-6-13-7-9-15(10-8-13)16-11-14(3,4)17-15/h6,12,16H,5,7-11H2,1-4H3/b13-6-
InChIKeySHOIEOPYEOCZFD-MLPAPPSSSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
2-(2,6-Dimethylhept-5-en-1-yl)-1,3-thiazolidine
CID 3058776
2-(3,4-Dimethylpent-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058790
6-Ethyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89272406
2-Cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine
CID 66216932
2-Cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine
CID 66228750
2-Cyclohex-3-en-1-yl-4-ethyl-1,3-thiazolidine
CID 66231452
2-Cyclohex-3-en-1-yl-5-methyl-1,3-thiazolidine
CID 66242662
2-(3,5-Dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine
CID 103277777
2-(3,5-Dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine
CID 103277778
2-(3,5-Dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazolidine
CID 103277779
2-(3,5-Dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine
CID 103277784

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane?
The IUPAC name of 2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane (CID 142647190) is 2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane.
What is the SMILES notation for 2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane?
The canonical SMILES for 2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane is CC(C)CC=C1CCC2(CC1)NCC(C)(C)S2.
What is the InChIKey of 2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane?
The InChIKey is SHOIEOPYEOCZFD-MLPAPPSSSA-N. The full InChI is InChI=1S/C15H27NS/c1-12(2)5-6-13-7-9-15(10-8-13)16-11-14(3,4)17-15/h6,12,16H,5,7-11H2,1-4H3/b13-6-.
What are the key properties of 2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane?
2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane has a molecular weight of 253.45 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane is sourced from PubChem (CID 142647190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).