[5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C17H26N2O3S — CID 70750958

IUPAC[5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCSCc1ccc(C(=O)N2CCCCC2CN2CCOCC2)o1
InChIInChI=1S/C17H26N2O3S/c1-23-13-15-5-6-16(22-15)17(20)19-7-3-2-4-14(19)12-18-8-10-21-11-9-18/h5-6,14H,2-4,7-13H2,1H3
InChIKeySTPDZHJFWWWHAH-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.47
Rot. Bonds5

About [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

[5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 70750958) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID70750958
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name[5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCSCc1ccc(C(=O)N2CCCCC2CN2CCOCC2)o1
InChIInChI=1S/C17H26N2O3S/c1-23-13-15-5-6-16(22-15)17(20)19-7-3-2-4-14(19)12-18-8-10-21-11-9-18/h5-6,14H,2-4,7-13H2,1H3
InChIKeySTPDZHJFWWWHAH-UHFFFAOYSA-N
XLogP2.47
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
CID 66264410
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70768311
2-(4-methylsulfanylphenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 70755072
[2-(furan-2-yl)azepan-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70706464
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 60634727
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 81096046
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
[5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 124689803
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400

Frequently Asked Questions

What is the IUPAC name of [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 70750958) is [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is CSCc1ccc(C(=O)N2CCCCC2CN2CCOCC2)o1.
What is the InChIKey of [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is STPDZHJFWWWHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-23-13-15-5-6-16(22-15)17(20)19-7-3-2-4-14(19)12-18-8-10-21-11-9-18/h5-6,14H,2-4,7-13H2,1H3.
What are the key properties of [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 338.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70750958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).