piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone

C13H23N3OS — CID 169318383

IUPACpiperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone
SMILESO=C([C@@H]1CSC2(CCNCC2)N1)N1CCCCC1
InChIInChI=1S/C13H23N3OS/c17-12(16-8-2-1-3-9-16)11-10-18-13(15-11)4-6-14-7-5-13/h11,14-15H,1-10H2/t11-/m0/s1
InChIKeyVPLDYWKDCRCCOV-NSHDSACASA-N
MW269.41 g/mol
LogP0.78
Rot. Bonds1

About piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone

piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone (PubChem CID 169318383) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone
PubChem CID169318383
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Namepiperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone
SMILESO=C([C@@H]1CSC2(CCNCC2)N1)N1CCCCC1
InChIInChI=1S/C13H23N3OS/c17-12(16-8-2-1-3-9-16)11-10-18-13(15-11)4-6-14-7-5-13/h11,14-15H,1-10H2/t11-/m0/s1
InChIKeyVPLDYWKDCRCCOV-NSHDSACASA-N
XLogP0.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 50.78
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-4,8-diazaspiro[4.5]decan-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone (CID 169318383) is piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone is O=C([C@@H]1CSC2(CCNCC2)N1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone?
The InChIKey is VPLDYWKDCRCCOV-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3OS/c17-12(16-8-2-1-3-9-16)11-10-18-13(15-11)4-6-14-7-5-13/h11,14-15H,1-10H2/t11-/m0/s1.
What are the key properties of piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone?
piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone has a molecular weight of 269.41 g/mol, XLogP of 0.78, 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-4,8-diazaspiro[4.5]decan-3-yl]methanone is sourced from PubChem (CID 169318383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).