1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one

C16H25NO4S — CID 75371938

IUPAC1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one
SMILESCC(C)CS(=O)(=O)CCC(=O)N1CCCCC1c1ccco1
InChIInChI=1S/C16H25NO4S/c1-13(2)12-22(19,20)11-8-16(18)17-9-4-3-6-14(17)15-7-5-10-21-15/h5,7,10,13-14H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyWEMICXJEROONTL-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.79
Rot. Bonds6

About 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one

1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one (PubChem CID 75371938) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one
PubChem CID75371938
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one
SMILESCC(C)CS(=O)(=O)CCC(=O)N1CCCCC1c1ccco1
InChIInChI=1S/C16H25NO4S/c1-13(2)12-22(19,20)11-8-16(18)17-9-4-3-6-14(17)15-7-5-10-21-15/h5,7,10,13-14H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyWEMICXJEROONTL-UHFFFAOYSA-N
XLogP2.79
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one 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

1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one
CID 119435506
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
CID 95352268
1-[2-(furan-2-yl)azepan-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 131897278
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
4-[3-[2-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 75516621
1-[3-(2-methylpropylsulfonyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119355675
(2R)-2-(furan-2-yl)-1-(2-methylpropyl)piperidine
CID 124500855
(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine
CID 124500854
5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 139002491
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one
CID 71930225

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one?
The IUPAC name of 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one (CID 75371938) is 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one.
What is the SMILES notation for 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one?
The canonical SMILES for 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one is CC(C)CS(=O)(=O)CCC(=O)N1CCCCC1c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one?
The InChIKey is WEMICXJEROONTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-13(2)12-22(19,20)11-8-16(18)17-9-4-3-6-14(17)15-7-5-10-21-15/h5,7,10,13-14H,3-4,6,8-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one?
1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one has a molecular weight of 327.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one is sourced from PubChem (CID 75371938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).