(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine

C16H19NO3S — CID 124500923

IUPAC(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccoc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13-5-7-15(8-6-13)21(18,19)17-10-3-2-4-16(17)14-9-11-20-12-14/h5-9,11-12,16H,2-4,10H2,1H3/t16-/m0/s1
InChIKeyNEYXNUSRQILDTQ-INIZCTEOSA-N
MW305.40 g/mol
LogP3.50
Rot. Bonds3

About (2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine

(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 124500923) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID124500923
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccoc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13-5-7-15(8-6-13)21(18,19)17-10-3-2-4-16(17)14-9-11-20-12-14/h5-9,11-12,16H,2-4,10H2,1H3/t16-/m0/s1
InChIKeyNEYXNUSRQILDTQ-INIZCTEOSA-N
XLogP3.50
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102543313
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
CID 102539737
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
(2S)-1-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95078859
2-(2,5-dimethylpyrrol-1-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102541906
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of (2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine (CID 124500923) is (2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for (2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for (2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccoc2)cc1.
What is the InChIKey of (2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is NEYXNUSRQILDTQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-5-7-15(8-6-13)21(18,19)17-10-3-2-4-16(17)14-9-11-20-12-14/h5-9,11-12,16H,2-4,10H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine?
(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 305.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 124500923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).