[(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

C19H26N2O3S — CID 124521040

IUPAC[(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H]1CN(C(=O)c2cccs2)CC[C@]12CC[C@H](C(=O)N1CCCC1)O2
InChIInChI=1S/C19H26N2O3S/c1-14-13-21(18(23)16-5-4-12-25-16)11-8-19(14)7-6-15(24-19)17(22)20-9-2-3-10-20/h4-5,12,14-15H,2-3,6-11,13H2,1H3/t14-,15-,19-/m1/s1
InChIKeyCNZQFVNFEOTXCL-SPYBWZPUSA-N
MW362.50 g/mol
LogP2.77
Rot. Bonds2

About [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

[(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 124521040) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID124521040
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name[(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H]1CN(C(=O)c2cccs2)CC[C@]12CC[C@H](C(=O)N1CCCC1)O2
InChIInChI=1S/C19H26N2O3S/c1-14-13-21(18(23)16-5-4-12-25-16)11-8-19(14)7-6-15(24-19)17(22)20-9-2-3-10-20/h4-5,12,14-15H,2-3,6-11,13H2,1H3/t14-,15-,19-/m1/s1
InChIKeyCNZQFVNFEOTXCL-SPYBWZPUSA-N
XLogP2.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076540
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131649587
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 94051622
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 72908088
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421

Frequently Asked Questions

What is the IUPAC name of [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (CID 124521040) is [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is C[C@@H]1CN(C(=O)c2cccs2)CC[C@]12CC[C@H](C(=O)N1CCCC1)O2.
What is the InChIKey of [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CNZQFVNFEOTXCL-SPYBWZPUSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-14-13-21(18(23)16-5-4-12-25-16)11-8-19(14)7-6-15(24-19)17(22)20-9-2-3-10-20/h4-5,12,14-15H,2-3,6-11,13H2,1H3/t14-,15-,19-/m1/s1.
What are the key properties of [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
[(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 362.50 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 124521040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).