[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone

C16H23NO3S — CID 91905838

IUPAC[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOCC1CN(C(=O)c2sccc2C)CC12CCOCC2
InChIInChI=1S/C16H23NO3S/c1-12-3-8-21-14(12)15(18)17-9-13(10-19-2)16(11-17)4-6-20-7-5-16/h3,8,13H,4-7,9-11H2,1-2H3
InChIKeyHKMHDECEVVZJFE-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.57
Rot. Bonds3

About [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone

[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 91905838) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID91905838
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOCC1CN(C(=O)c2sccc2C)CC12CCOCC2
InChIInChI=1S/C16H23NO3S/c1-12-3-8-21-14(12)15(18)17-9-13(10-19-2)16(11-17)4-6-20-7-5-16/h3,8,13H,4-7,9-11H2,1-2H3
InChIKeyHKMHDECEVVZJFE-UHFFFAOYSA-N
XLogP2.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone (CID 91905838) is [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone is COCC1CN(C(=O)c2sccc2C)CC12CCOCC2.
What is the InChIKey of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is HKMHDECEVVZJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-12-3-8-21-14(12)15(18)17-9-13(10-19-2)16(11-17)4-6-20-7-5-16/h3,8,13H,4-7,9-11H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone?
[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 309.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 91905838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).