[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone

C19H23NO2S — CID 71801058

IUPAC[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C19H23NO2S/c1-15-5-2-3-7-18(15)19(21)20-10-8-16(9-11-20)13-23-14-17-6-4-12-22-17/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeyHPWAGWAHVXAOHZ-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.37
Rot. Bonds5

About [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone

[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 71801058) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID71801058
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C19H23NO2S/c1-15-5-2-3-7-18(15)19(21)20-10-8-16(9-11-20)13-23-14-17-6-4-12-22-17/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeyHPWAGWAHVXAOHZ-UHFFFAOYSA-N
XLogP4.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 71801069
1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone
CID 71801062
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
4-(furan-2-ylmethylsulfanylmethyl)-1-methylsulfonylpiperidine
CID 71801136
2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone
CID 71801076
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801126
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801121
ethyl 1-[2-(furan-2-ylmethylsulfanyl)acetyl]piperidine-4-carboxylate
CID 2414801
[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 112537576
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 110284786
1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 3437366

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone (CID 71801058) is [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCC(CSCc2ccco2)CC1.
What is the InChIKey of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is HPWAGWAHVXAOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-5-2-3-7-18(15)19(21)20-10-8-16(9-11-20)13-23-14-17-6-4-12-22-17/h2-7,12,16H,8-11,13-14H2,1H3.
What are the key properties of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone?
[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 329.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 71801058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).