[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone

C16H24N2O3S — CID 72871979

IUPAC[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCN(C3CCSCC3)CC2)o1
InChIInChI=1S/C16H24N2O3S/c1-20-12-14-2-3-15(21-14)16(19)18-8-6-17(7-9-18)13-4-10-22-11-5-13/h2-3,13H,4-12H2,1H3
InChIKeySDZKPCUQUATNJW-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.08
Rot. Bonds4

About [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone

[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone (PubChem CID 72871979) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
PubChem CID72871979
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCN(C3CCSCC3)CC2)o1
InChIInChI=1S/C16H24N2O3S/c1-20-12-14-2-3-15(21-14)16(19)18-8-6-17(7-9-18)13-4-10-22-11-5-13/h2-3,13H,4-12H2,1H3
InChIKeySDZKPCUQUATNJW-UHFFFAOYSA-N
XLogP2.08
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 118761331
1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 78852997
ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 78833666
[5-(methoxymethyl)furan-2-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78882361
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 24817677
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(methoxymethyl)furan-2-yl]methanone
CID 119635590
6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175089
(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129467286
N-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 78867540
2-[4-[5-(methoxymethyl)furan-2-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858877
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78829498

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone (CID 72871979) is [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone is COCc1ccc(C(=O)N2CCN(C3CCSCC3)CC2)o1.
What is the InChIKey of [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The InChIKey is SDZKPCUQUATNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-20-12-14-2-3-15(21-14)16(19)18-8-6-17(7-9-18)13-4-10-22-11-5-13/h2-3,13H,4-12H2,1H3.
What are the key properties of [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone has a molecular weight of 324.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 72871979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).