[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone

C15H25NO3S — CID 97418772

IUPAC[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone
SMILESCO[C@@H]1COC2(CCN(C(=O)C3CCSCC3)CC2)C1
InChIInChI=1S/C15H25NO3S/c1-18-13-10-15(19-11-13)4-6-16(7-5-15)14(17)12-2-8-20-9-3-12/h12-13H,2-11H2,1H3/t13-/m0/s1
InChIKeyRVMVXOCDQYGTTB-ZDUSSCGKSA-N
MW299.44 g/mol
LogP1.93
Rot. Bonds2

About [(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone

[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone (PubChem CID 97418772) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is [(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone
PubChem CID97418772
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone
SMILESCO[C@@H]1COC2(CCN(C(=O)C3CCSCC3)CC2)C1
InChIInChI=1S/C15H25NO3S/c1-18-13-10-15(19-11-13)4-6-16(7-5-15)14(17)12-2-8-20-9-3-12/h12-13H,2-11H2,1H3/t13-/m0/s1
InChIKeyRVMVXOCDQYGTTB-ZDUSSCGKSA-N
XLogP1.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5S)-3-(cyclobutylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(thian-4-yl)methanone
CID 97477603
cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487110
1-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-methylsulfonylethanone
CID 97423008
cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487114
(3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419661
8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 131653681
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone
CID 131663291
azepan-1-yl(thian-4-yl)methanone
CID 110856329
(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487255
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-hydroxycyclobutyl)methanone
CID 131690369
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone
CID 131689296
(7R)-7-methoxy-5-oxaspiro[3.4]octane
CID 162176613

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone?
The IUPAC name of [(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone (CID 97418772) is [(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone.
What is the SMILES notation for [(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone?
The canonical SMILES for [(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone is CO[C@@H]1COC2(CCN(C(=O)C3CCSCC3)CC2)C1.
What is the InChIKey of [(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone?
The InChIKey is RVMVXOCDQYGTTB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-18-13-10-15(19-11-13)4-6-16(7-5-15)14(17)12-2-8-20-9-3-12/h12-13H,2-11H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone?
[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone has a molecular weight of 299.44 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone is sourced from PubChem (CID 97418772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).