pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone

C18H26N2O2S — CID 97383852

IUPACpyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C([C@H]1CCC2(CCN(Cc3cccs3)CC2)O1)N1CCCC1
InChIInChI=1S/C18H26N2O2S/c21-17(20-9-1-2-10-20)16-5-6-18(22-16)7-11-19(12-8-18)14-15-4-3-13-23-15/h3-4,13,16H,1-2,5-12,14H2/t16-/m1/s1
InChIKeyNZMHQILWNBBZFM-MRXNPFEDSA-N
MW334.49 g/mol
LogP2.88
Rot. Bonds3

About pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone

pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 97383852) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
PubChem CID97383852
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Namepyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C([C@H]1CCC2(CCN(Cc3cccs3)CC2)O1)N1CCCC1
InChIInChI=1S/C18H26N2O2S/c21-17(20-9-1-2-10-20)16-5-6-18(22-16)7-11-19(12-8-18)14-15-4-3-13-23-15/h3-4,13,16H,1-2,5-12,14H2/t16-/m1/s1
InChIKeyNZMHQILWNBBZFM-MRXNPFEDSA-N
XLogP2.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 131657633
[8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 131657477
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
[(2R)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383858
[(2R)-8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383891
[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155832672
(2-hydroxycyclopentyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110015109
[8-(furan-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 131649618
pyrrolidin-3-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 63006136
3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 156608361
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
[(2R)-pyrrolidin-2-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 104900969

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone (CID 97383852) is pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone is O=C([C@H]1CCC2(CCN(Cc3cccs3)CC2)O1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is NZMHQILWNBBZFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-17(20-9-1-2-10-20)16-5-6-18(22-16)7-11-19(12-8-18)14-15-4-3-13-23-15/h3-4,13,16H,1-2,5-12,14H2/t16-/m1/s1.
What are the key properties of pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone?
pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 334.49 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97383852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).