cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone

C18H25N3OS — CID 129351892

IUPACcyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
SMILESCN(Cc1nccs1)[C@H]1CC12CCN(C(=O)C1=CCCC1)CC2
InChIInChI=1S/C18H25N3OS/c1-20(13-16-19-8-11-23-16)15-12-18(15)6-9-21(10-7-18)17(22)14-4-2-3-5-14/h4,8,11,15H,2-3,5-7,9-10,12-13H2,1H3/t15-/m0/s1
InChIKeyMUMRUIXHUMMOKV-HNNXBMFYSA-N
MW331.49 g/mol
LogP3.07
Rot. Bonds4

About cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone

cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone (PubChem CID 129351892) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
PubChem CID129351892
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Namecyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
SMILESCN(Cc1nccs1)[C@H]1CC12CCN(C(=O)C1=CCCC1)CC2
InChIInChI=1S/C18H25N3OS/c1-20(13-16-19-8-11-23-16)15-12-18(15)6-9-21(10-7-18)17(22)14-4-2-3-5-14/h4,8,11,15H,2-3,5-7,9-10,12-13H2,1H3/t15-/m0/s1
InChIKeyMUMRUIXHUMMOKV-HNNXBMFYSA-N
XLogP3.07
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone (CID 129351892) is cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone is CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)C1=CCCC1)CC2.
What is the InChIKey of cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?
The InChIKey is MUMRUIXHUMMOKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-20(13-16-19-8-11-23-16)15-12-18(15)6-9-21(10-7-18)17(22)14-4-2-3-5-14/h4,8,11,15H,2-3,5-7,9-10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone?
cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone has a molecular weight of 331.49 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone is sourced from PubChem (CID 129351892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).