4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine

C16H21NO3S — CID 174698988

IUPAC4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine
SMILESCS(=O)(=O)c1ccc(C2=CC[C@H](C3CCNCC3)O2)cc1
InChIInChI=1S/C16H21NO3S/c1-21(18,19)14-4-2-12(3-5-14)15-6-7-16(20-15)13-8-10-17-11-9-13/h2-6,13,16-17H,7-11H2,1H3/t16-/m1/s1
InChIKeyWIZUEMBUBKEDEL-MRXNPFEDSA-N
MW307.41 g/mol
LogP2.22
Rot. Bonds3

About 4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine

4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine (PubChem CID 174698988) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine.

Molecular Properties

Compound Name4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine
PubChem CID174698988
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine
SMILESCS(=O)(=O)c1ccc(C2=CC[C@H](C3CCNCC3)O2)cc1
InChIInChI=1S/C16H21NO3S/c1-21(18,19)14-4-2-12(3-5-14)15-6-7-16(20-15)13-8-10-17-11-9-13/h2-6,13,16-17H,7-11H2,1H3/t16-/m1/s1
InChIKeyWIZUEMBUBKEDEL-MRXNPFEDSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine
CID 141343395
5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine
CID 67973749
4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
CID 22676590
(6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 162735690
5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 150283484
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine
CID 141268685
4-(2-methyl-5-methylsulfonylphenyl)piperidine
CID 117386717
5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine
CID 131985315
9-(4-methylsulfonylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719614
2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine
CID 68892366

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine?
The IUPAC name of 4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine (CID 174698988) is 4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine.
What is the SMILES notation for 4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine?
The canonical SMILES for 4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine is CS(=O)(=O)c1ccc(C2=CC[C@H](C3CCNCC3)O2)cc1.
What is the InChIKey of 4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine?
The InChIKey is WIZUEMBUBKEDEL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-21(18,19)14-4-2-12(3-5-14)15-6-7-16(20-15)13-8-10-17-11-9-13/h2-6,13,16-17H,7-11H2,1H3/t16-/m1/s1.
What are the key properties of 4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine?
4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine has a molecular weight of 307.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine is sourced from PubChem (CID 174698988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).