[(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

C18H27N3O2S — CID 97423328

IUPAC[(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1csc(CN2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)n1
InChIInChI=1S/C18H27N3O2S/c1-14-13-24-16(19-14)12-20-10-6-18(7-11-20)5-4-15(23-18)17(22)21-8-2-3-9-21/h13,15H,2-12H2,1H3/t15-/m0/s1
InChIKeyRRPSRBBWECISJA-HNNXBMFYSA-N
MW349.50 g/mol
LogP2.59
Rot. Bonds3

About [(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

[(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97423328) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is [(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97423328
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name[(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1csc(CN2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)n1
InChIInChI=1S/C18H27N3O2S/c1-14-13-24-16(19-14)12-20-10-6-18(7-11-20)5-4-15(23-18)17(22)21-8-2-3-9-21/h13,15H,2-12H2,1H3/t15-/m0/s1
InChIKeyRRPSRBBWECISJA-HNNXBMFYSA-N
XLogP2.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (CID 97423328) is [(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is Cc1csc(CN2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)n1.
What is the InChIKey of [(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RRPSRBBWECISJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-13-24-16(19-14)12-20-10-6-18(7-11-20)5-4-15(23-18)17(22)21-8-2-3-9-21/h13,15H,2-12H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
[(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.50 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97423328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).