piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone

C12H21N3OS — CID 169318350

IUPACpiperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone
SMILESO=C([C@@H]1CSC2(CCNC2)N1)N1CCCCC1
InChIInChI=1S/C12H21N3OS/c16-11(15-6-2-1-3-7-15)10-8-17-12(14-10)4-5-13-9-12/h10,13-14H,1-9H2/t10-,12?/m0/s1
InChIKeySDUFQSNOVMYOKX-NUHJPDEHSA-N
MW255.39 g/mol
LogP0.39
Rot. Bonds1

About piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone

piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone (PubChem CID 169318350) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone
PubChem CID169318350
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Namepiperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone
SMILESO=C([C@@H]1CSC2(CCNC2)N1)N1CCCCC1
InChIInChI=1S/C12H21N3OS/c16-11(15-6-2-1-3-7-15)10-8-17-12(14-10)4-5-13-9-12/h10,13-14H,1-9H2/t10-,12?/m0/s1
InChIKeySDUFQSNOVMYOKX-NUHJPDEHSA-N
XLogP0.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone (CID 169318350) is piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone is O=C([C@@H]1CSC2(CCNC2)N1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone?
The InChIKey is SDUFQSNOVMYOKX-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H21N3OS/c16-11(15-6-2-1-3-7-15)10-8-17-12(14-10)4-5-13-9-12/h10,13-14H,1-9H2/t10-,12?/m0/s1.
What are the key properties of piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone?
piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone has a molecular weight of 255.39 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone is sourced from PubChem (CID 169318350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).