(3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane

C14H22N2O2S — CID 97419656

IUPAC(3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCO[C@@H]1CO[C@@]2(CCCN(Cc3nc(C)cs3)C2)C1
InChIInChI=1S/C14H22N2O2S/c1-11-9-19-13(15-11)7-16-5-3-4-14(10-16)6-12(17-2)8-18-14/h9,12H,3-8,10H2,1-2H3/t12-,14-/m0/s1
InChIKeyGYBZXMCMOKNNSJ-JSGCOSHPSA-N
MW282.41 g/mol
LogP2.22
Rot. Bonds3

About (3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane

(3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97419656) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
PubChem CID97419656
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCO[C@@H]1CO[C@@]2(CCCN(Cc3nc(C)cs3)C2)C1
InChIInChI=1S/C14H22N2O2S/c1-11-9-19-13(15-11)7-16-5-3-4-14(10-16)6-12(17-2)8-18-14/h9,12H,3-8,10H2,1-2H3/t12-,14-/m0/s1
InChIKeyGYBZXMCMOKNNSJ-JSGCOSHPSA-N
XLogP2.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane (CID 97419656) is (3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane is CO[C@@H]1CO[C@@]2(CCCN(Cc3nc(C)cs3)C2)C1.
What is the InChIKey of (3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is GYBZXMCMOKNNSJ-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-9-19-13(15-11)7-16-5-3-4-14(10-16)6-12(17-2)8-18-14/h9,12H,3-8,10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
(3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 282.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-methoxy-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97419656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).