8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

C19H24N2OS — CID 118746334

IUPAC8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ccc(CN2CCC3(CC2)CC(c2cccnc2)CO3)s1
InChIInChI=1S/C19H24N2OS/c1-15-4-5-18(23-15)13-21-9-6-19(7-10-21)11-17(14-22-19)16-3-2-8-20-12-16/h2-5,8,12,17H,6-7,9-11,13-14H2,1H3
InChIKeyMMBRXBWGXZKXHO-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.99
Rot. Bonds3

About 8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118746334) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID118746334
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ccc(CN2CCC3(CC2)CC(c2cccnc2)CO3)s1
InChIInChI=1S/C19H24N2OS/c1-15-4-5-18(23-15)13-21-9-6-19(7-10-21)11-17(14-22-19)16-3-2-8-20-12-16/h2-5,8,12,17H,6-7,9-11,13-14H2,1H3
InChIKeyMMBRXBWGXZKXHO-UHFFFAOYSA-N
XLogP3.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (CID 118746334) is 8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is Cc1ccc(CN2CCC3(CC2)CC(c2cccnc2)CO3)s1.
What is the InChIKey of 8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is MMBRXBWGXZKXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15-4-5-18(23-15)13-21-9-6-19(7-10-21)11-17(14-22-19)16-3-2-8-20-12-16/h2-5,8,12,17H,6-7,9-11,13-14H2,1H3.
What are the key properties of 8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 328.48 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methylthiophen-2-yl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118746334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).