3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane]

C14H25NS — CID 114820501

IUPAC3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane]
SMILESCCC1CSC2CC3(CCCC3)CCC2N1
InChIInChI=1S/C14H25NS/c1-2-11-10-16-13-9-14(6-3-4-7-14)8-5-12(13)15-11/h11-13,15H,2-10H2,1H3
InChIKeyUTFULIUGGOFQCO-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.58
Rot. Bonds1

About 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane]

3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane] (PubChem CID 114820501) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane].

Molecular Properties

Compound Name3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane]
PubChem CID114820501
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane]
SMILESCCC1CSC2CC3(CCCC3)CCC2N1
InChIInChI=1S/C14H25NS/c1-2-11-10-16-13-9-14(6-3-4-7-14)8-5-12(13)15-11/h11-13,15H,2-10H2,1H3
InChIKeyUTFULIUGGOFQCO-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane] with MolForge

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Related Compounds

3-ethyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine
CID 66230766
3-ethyl-5,5-dimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine
CID 79862447
3-ethyl-7-(2-methylbutan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine
CID 66228896
2,4-diethyl-1,3-thiazolidine
CID 66229819
4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazolidine
CID 66229577
4-ethyl-2-(1-methylsulfanylcyclopropyl)-1,3-thiazolidine
CID 130506514
3-ethyl-4-methylspiro[5.5]undecane
CID 177192246
3-(2,2-dimethylcyclopropyl)-5-ethyl-2-methylthiomorpholine
CID 131076356
3-cyclopropyl-5-ethyl-2-methylthiomorpholine
CID 66227956
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
4-ethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 66230749
7-ethyl-6-azaspiro[2.5]octane
CID 153391918

Frequently Asked Questions

What is the IUPAC name of 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane]?
The IUPAC name of 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane] (CID 114820501) is 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane].
What is the SMILES notation for 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane]?
The canonical SMILES for 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane] is CCC1CSC2CC3(CCCC3)CCC2N1.
What is the InChIKey of 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane]?
The InChIKey is UTFULIUGGOFQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-2-11-10-16-13-9-14(6-3-4-7-14)8-5-12(13)15-11/h11-13,15H,2-10H2,1H3.
What are the key properties of 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane]?
3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane] has a molecular weight of 239.43 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylspiro[2,3,4,4a,5,6,8,8a-octahydrobenzo[b][1,4]thiazine-7,1'-cyclopentane] is sourced from PubChem (CID 114820501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).