8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C16H20N4OS — CID 50970911

IUPAC8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)CN1
InChIInChI=1S/C16H20N4OS/c21-15-9-16(11-17-15)4-7-20(8-5-16)10-12-1-2-14(22-12)13-3-6-18-19-13/h1-3,6H,4-5,7-11H2,(H,17,21)(H,18,19)
InChIKeySCQNLNWSYAETHW-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.24
Rot. Bonds3

About 8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50970911) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50970911
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)CN1
InChIInChI=1S/C16H20N4OS/c21-15-9-16(11-17-15)4-7-20(8-5-16)10-12-1-2-14(22-12)13-3-6-18-19-13/h1-3,6H,4-5,7-11H2,(H,17,21)(H,18,19)
InChIKeySCQNLNWSYAETHW-UHFFFAOYSA-N
XLogP2.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 50970911) is 8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)CN1.
What is the InChIKey of 8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SCQNLNWSYAETHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-15-9-16(11-17-15)4-7-20(8-5-16)10-12-1-2-14(22-12)13-3-6-18-19-13/h1-3,6H,4-5,7-11H2,(H,17,21)(H,18,19).
What are the key properties of 8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 316.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50970911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).