methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate

C14H21N3O2S — CID 3233568

IUPACmethyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C14H21N3O2S/c1-19-13(18)17-6-2-3-14(11-17)4-7-16(10-14)9-12-15-5-8-20-12/h5,8H,2-4,6-7,9-11H2,1H3/t14-/m0/s1
InChIKeyMUUKUXFNFXJKBD-AWEZNQCLSA-N
MW295.41 g/mol
LogP2.20
Rot. Bonds2

About methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate

methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3233568) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3233568
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Namemethyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C14H21N3O2S/c1-19-13(18)17-6-2-3-14(11-17)4-7-16(10-14)9-12-15-5-8-20-12/h5,8H,2-4,6-7,9-11H2,1H3/t14-/m0/s1
InChIKeyMUUKUXFNFXJKBD-AWEZNQCLSA-N
XLogP2.20
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3233568) is methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate is COC(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is MUUKUXFNFXJKBD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-19-13(18)17-6-2-3-14(11-17)4-7-16(10-14)9-12-15-5-8-20-12/h5,8H,2-4,6-7,9-11H2,1H3/t14-/m0/s1.
What are the key properties of methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 295.41 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3233568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).