4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine

C16H25N5O2S — CID 167895318

IUPAC4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine
SMILESO=S1(=O)CCN(c2ccnc(NC3CCCNC3)n2)CC12CCC2
InChIInChI=1S/C16H25N5O2S/c22-24(23)10-9-21(12-16(24)5-2-6-16)14-4-8-18-15(20-14)19-13-3-1-7-17-11-13/h4,8,13,17H,1-3,5-7,9-12H2,(H,18,19,20)
InChIKeyVEFWBHWAUYQRHM-UHFFFAOYSA-N
MW351.48 g/mol
LogP0.80
Rot. Bonds3

About 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine

4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine (PubChem CID 167895318) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine
PubChem CID167895318
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine
SMILESO=S1(=O)CCN(c2ccnc(NC3CCCNC3)n2)CC12CCC2
InChIInChI=1S/C16H25N5O2S/c22-24(23)10-9-21(12-16(24)5-2-6-16)14-4-8-18-15(20-14)19-13-3-1-7-17-11-13/h4,8,13,17H,1-3,5-7,9-12H2,(H,18,19,20)
InChIKeyVEFWBHWAUYQRHM-UHFFFAOYSA-N
XLogP0.80
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine with MolForge

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Related Compounds

4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine
CID 175699091
N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
CID 141392242
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268
4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one
CID 167450026
4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 146989000
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
3-methyl-1-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrrolidin-3-ol
CID 167142654
N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 71564412

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine (CID 167895318) is 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine is O=S1(=O)CCN(c2ccnc(NC3CCCNC3)n2)CC12CCC2.
What is the InChIKey of 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is VEFWBHWAUYQRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S/c22-24(23)10-9-21(12-16(24)5-2-6-16)14-4-8-18-15(20-14)19-13-3-1-7-17-11-13/h4,8,13,17H,1-3,5-7,9-12H2,(H,18,19,20).
What are the key properties of 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine?
4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 351.48 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 167895318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).