7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one

C19H26N4O2S — CID 72898239

IUPAC7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CSc1ncccn1)N1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H26N4O2S/c24-16(13-26-18-20-8-3-9-21-18)23-11-7-19(14-23)6-2-10-22(17(19)25)12-15-4-1-5-15/h3,8-9,15H,1-2,4-7,10-14H2
InChIKeyMDOPCFXBSSPMRZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.21
Rot. Bonds5

About 7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72898239) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72898239
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CSc1ncccn1)N1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H26N4O2S/c24-16(13-26-18-20-8-3-9-21-18)23-11-7-19(14-23)6-2-10-22(17(19)25)12-15-4-1-5-15/h3,8-9,15H,1-2,4-7,10-14H2
InChIKeyMDOPCFXBSSPMRZ-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(cyclobutylmethyl)-2-[2-(2-oxopyrimidin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918553
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
7-(cyclobutylmethyl)-2-[2-(2-oxo-1-pyridinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853958
7-(cyclopropylmethyl)-2-[2-(2-ethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72852578
7-(cyclohexylmethyl)-2-(3-pyrazol-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45225712
(5R)-7-(cyclobutylmethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97146998
7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72903089
(5R)-7-(cyclobutylmethyl)-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97137057
(5R)-7-(cyclopropylmethyl)-2-[3-(2-ethylimidazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126424303
(5R)-7-(cyclopropylmethyl)-2-(3-pyridin-3-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156301
(5R)-7-(cyclobutylmethyl)-2-[3-(1-methylpyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26404662
7-(cyclohexylmethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45220503

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72898239) is 7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(CSc1ncccn1)N1CCC2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MDOPCFXBSSPMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c24-16(13-26-18-20-8-3-9-21-18)23-11-7-19(14-23)6-2-10-22(17(19)25)12-15-4-1-5-15/h3,8-9,15H,1-2,4-7,10-14H2.
What are the key properties of 7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.51 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72898239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).