(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N4OS — CID 97154315

IUPAC(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCSc1nccc(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1
InChIInChI=1S/C18H26N4OS/c1-24-17-19-9-6-15(20-17)22-11-8-18(13-22)7-3-10-21(16(18)23)12-14-4-2-5-14/h6,9,14H,2-5,7-8,10-13H2,1H3/t18-/m0/s1
InChIKeyUHMCIAJNMVAWDE-SFHVURJKSA-N
MW346.50 g/mol
LogP2.82
Rot. Bonds4

About (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97154315) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97154315
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCSc1nccc(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1
InChIInChI=1S/C18H26N4OS/c1-24-17-19-9-6-15(20-17)22-11-8-18(13-22)7-3-10-21(16(18)23)12-14-4-2-5-14/h6,9,14H,2-5,7-8,10-13H2,1H3/t18-/m0/s1
InChIKeyUHMCIAJNMVAWDE-SFHVURJKSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

7-(2-hydroxyethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72930580
(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97131419
6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid
CID 97122101
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
(5R)-7-(cyclopropylmethyl)-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97142044
7-(cyclopropylmethyl)-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72909219
4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile
CID 97122836
(5R)-7-(cyclopropylmethyl)-2-(8-methoxyquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95894911
7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72898239
2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
CID 97127607
2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
CID 97127606
(5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97145549

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97154315) is (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CSc1nccc(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UHMCIAJNMVAWDE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-24-17-19-9-6-15(20-17)22-11-8-18(13-22)7-3-10-21(16(18)23)12-14-4-2-5-14/h6,9,14H,2-5,7-8,10-13H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 346.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97154315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).