[1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

C16H24N2O3S — CID 75470826

IUPAC[1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCOCc1ccc(CN2CCCC2C(=O)N2CCSCC2)o1
InChIInChI=1S/C16H24N2O3S/c1-20-12-14-5-4-13(21-14)11-18-6-2-3-15(18)16(19)17-7-9-22-10-8-17/h4-5,15H,2-3,6-12H2,1H3
InChIKeyRWTUILBSVFDQTG-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.97
Rot. Bonds5

About [1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

[1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 75470826) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is [1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID75470826
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name[1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCOCc1ccc(CN2CCCC2C(=O)N2CCSCC2)o1
InChIInChI=1S/C16H24N2O3S/c1-20-12-14-5-4-13(21-14)11-18-6-2-3-15(18)16(19)17-7-9-22-10-8-17/h4-5,15H,2-3,6-12H2,1H3
InChIKeyRWTUILBSVFDQTG-UHFFFAOYSA-N
XLogP1.97
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 56578897
[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 62346739
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056029
N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 95149005
[(2R)-1-(5-chloro-8-methylquinolin-2-yl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 97257203
(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42522707
[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 120751519
[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177242
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56542184
[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 120751518
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 72871979

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (CID 75470826) is [1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is COCc1ccc(CN2CCCC2C(=O)N2CCSCC2)o1.
What is the InChIKey of [1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is RWTUILBSVFDQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-20-12-14-5-4-13(21-14)11-18-6-2-3-15(18)16(19)17-7-9-22-10-8-17/h4-5,15H,2-3,6-12H2,1H3.
What are the key properties of [1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
[1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 324.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 75470826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).