(4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone

C13H24N4OS — CID 169318355

IUPAC(4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone
SMILESCN1CCN(C(=O)[C@@H]2CSC3(CCCNC3)N2)CC1
InChIInChI=1S/C13H24N4OS/c1-16-5-7-17(8-6-16)12(18)11-9-19-13(15-11)3-2-4-14-10-13/h11,14-15H,2-10H2,1H3/t11-,13?/m0/s1
InChIKeyIWYLQKRHUBVXRC-AMGKYWFPSA-N
MW284.43 g/mol
LogP-0.45
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone

(4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone (PubChem CID 169318355) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone
PubChem CID169318355
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name(4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone
SMILESCN1CCN(C(=O)[C@@H]2CSC3(CCCNC3)N2)CC1
InChIInChI=1S/C13H24N4OS/c1-16-5-7-17(8-6-16)12(18)11-9-19-13(15-11)3-2-4-14-10-13/h11,14-15H,2-10H2,1H3/t11-,13?/m0/s1
InChIKeyIWYLQKRHUBVXRC-AMGKYWFPSA-N
XLogP-0.45
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone (CID 169318355) is (4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone is CN1CCN(C(=O)[C@@H]2CSC3(CCCNC3)N2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone?
The InChIKey is IWYLQKRHUBVXRC-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-16-5-7-17(8-6-16)12(18)11-9-19-13(15-11)3-2-4-14-10-13/h11,14-15H,2-10H2,1H3/t11-,13?/m0/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone?
(4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone has a molecular weight of 284.43 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone is sourced from PubChem (CID 169318355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).