tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate

C14H24N2O3S — CID 23574966

IUPACtert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCC1SC2(CCN(C(=O)OC(C)(C)C)CC2)NC1=O
InChIInChI=1S/C14H24N2O3S/c1-5-10-11(17)15-14(20-10)6-8-16(9-7-14)12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,17)
InChIKeyPDLRGXCLEOIWAW-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.36
Rot. Bonds1

About tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 23574966) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID23574966
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Nametert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCC1SC2(CCN(C(=O)OC(C)(C)C)CC2)NC1=O
InChIInChI=1S/C14H24N2O3S/c1-5-10-11(17)15-14(20-10)6-8-16(9-7-14)12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,17)
InChIKeyPDLRGXCLEOIWAW-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate (CID 23574966) is tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate is CCC1SC2(CCN(C(=O)OC(C)(C)C)CC2)NC1=O.
What is the InChIKey of tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is PDLRGXCLEOIWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-10-11(17)15-14(20-10)6-8-16(9-7-14)12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 300.42 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 23574966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).