[2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C18H30N2O2S — CID 91921813

IUPAC[2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3sccc3C)CC2)C1
InChIInChI=1S/C18H30N2O2S/c1-15-3-10-23-17(15)12-19-6-4-18(5-7-19)14-20(8-9-22-2)11-16(18)13-21/h3,10,16,21H,4-9,11-14H2,1-2H3
InChIKeyVKYZKHILWWIROG-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.21
Rot. Bonds6

About [2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921813) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is [2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921813
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Name[2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3sccc3C)CC2)C1
InChIInChI=1S/C18H30N2O2S/c1-15-3-10-23-17(15)12-19-6-4-18(5-7-19)14-20(8-9-22-2)11-16(18)13-21/h3,10,16,21H,4-9,11-14H2,1-2H3
InChIKeyVKYZKHILWWIROG-UHFFFAOYSA-N
XLogP2.21
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921813) is [2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is COCCN1CC(CO)C2(CCN(Cc3sccc3C)CC2)C1.
What is the InChIKey of [2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is VKYZKHILWWIROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-15-3-10-23-17(15)12-19-6-4-18(5-7-19)14-20(8-9-22-2)11-16(18)13-21/h3,10,16,21H,4-9,11-14H2,1-2H3.
What are the key properties of [2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 338.52 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)-8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).