4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane

C16H26N2OS — CID 91922013

IUPAC4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2sccc2C)CC12CCNCC2
InChIInChI=1S/C16H26N2OS/c1-13-3-8-20-15(13)10-18-9-14(11-19-2)16(12-18)4-6-17-7-5-16/h3,8,14,17H,4-7,9-12H2,1-2H3
InChIKeyYLVTXHXTCSIMNF-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.50
Rot. Bonds4

About 4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane

4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 91922013) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID91922013
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2sccc2C)CC12CCNCC2
InChIInChI=1S/C16H26N2OS/c1-13-3-8-20-15(13)10-18-9-14(11-19-2)16(12-18)4-6-17-7-5-16/h3,8,14,17H,4-7,9-12H2,1-2H3
InChIKeyYLVTXHXTCSIMNF-UHFFFAOYSA-N
XLogP2.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 91922013) is 4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane is COCC1CN(Cc2sccc2C)CC12CCNCC2.
What is the InChIKey of 4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is YLVTXHXTCSIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-13-3-8-20-15(13)10-18-9-14(11-19-2)16(12-18)4-6-17-7-5-16/h3,8,14,17H,4-7,9-12H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 294.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).