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

C19H28N4OS — CID 97131419

IUPAC(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCSc1nccc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)n1
InChIInChI=1S/C19H28N4OS/c1-25-18-20-11-8-16(21-18)22-13-10-19(14-22)9-5-12-23(17(19)24)15-6-3-2-4-7-15/h8,11,15H,2-7,9-10,12-14H2,1H3/t19-/m0/s1
InChIKeyRTHMJJHVQYEMMQ-IBGZPJMESA-N
MW360.53 g/mol
LogP3.35
Rot. Bonds3

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

(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97131419) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is (5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97131419
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCSc1nccc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)n1
InChIInChI=1S/C19H28N4OS/c1-25-18-20-11-8-16(21-18)22-13-10-19(14-22)9-5-12-23(17(19)24)15-6-3-2-4-7-15/h8,11,15H,2-7,9-10,12-14H2,1H3/t19-/m0/s1
InChIKeyRTHMJJHVQYEMMQ-IBGZPJMESA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97154315
7-(2-hydroxyethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72930580
(5R)-7-cyclopentyl-2-(5-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147036
6-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylic acid
CID 72854969
2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
CID 97155948
7-cyclopentyl-2-pyridazin-3-yl-2,7-diazaspiro[4.5]decan-6-one
CID 86283608
2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 143229463
6-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-N-methylpyridine-2-carboxamide
CID 72885425
methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate
CID 143229607
(5S)-3-methyl-9-(2-methylsulfanylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95715601
(5R)-2-isoquinolin-1-yl-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97150324
(5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126403

Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97131419) is (5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CSc1nccc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)n1.
What is the InChIKey of (5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RTHMJJHVQYEMMQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N4OS/c1-25-18-20-11-8-16(21-18)22-13-10-19(14-22)9-5-12-23(17(19)24)15-6-3-2-4-7-15/h8,11,15H,2-7,9-10,12-14H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 360.53 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97131419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).