[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone

C17H20N4OS — CID 97450078

IUPAC[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N4OS/c22-15(14-3-10-23-11-14)20-8-1-4-17(12-20)5-9-21(13-17)16-18-6-2-7-19-16/h2-3,6-7,10-11H,1,4-5,8-9,12-13H2/t17-/m1/s1
InChIKeyJMNMWXVQRHSZRF-QGZVFWFLSA-N
MW328.44 g/mol
LogP2.67
Rot. Bonds2

About [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone

[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone (PubChem CID 97450078) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
PubChem CID97450078
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N4OS/c22-15(14-3-10-23-11-14)20-8-1-4-17(12-20)5-9-21(13-17)16-18-6-2-7-19-16/h2-3,6-7,10-11H,1,4-5,8-9,12-13H2/t17-/m1/s1
InChIKeyJMNMWXVQRHSZRF-QGZVFWFLSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

[7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
CID 97472794
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
CID 97449449
(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone
CID 131642549
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
[2-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839257
(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155856040
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3234058
[(6S)-11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 97494683
[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97450106
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone (CID 97450078) is [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone?
The InChIKey is JMNMWXVQRHSZRF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-15(14-3-10-23-11-14)20-8-1-4-17(12-20)5-9-21(13-17)16-18-6-2-7-19-16/h2-3,6-7,10-11H,1,4-5,8-9,12-13H2/t17-/m1/s1.
What are the key properties of [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone?
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone has a molecular weight of 328.44 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97450078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).