(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine

C15H16N2O5S — CID 125130143

IUPAC(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O5S/c1-11-8-9-14(22-11)12-6-4-10-16(12)23(20,21)15-7-3-2-5-13(15)17(18)19/h2-3,5,7-9,12H,4,6,10H2,1H3/t12-/m0/s1
InChIKeyASPWLUGAHIVWLL-LBPRGKRZSA-N
MW336.37 g/mol
LogP3.02
Rot. Bonds4

About (2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine

(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine (PubChem CID 125130143) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is (2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine
PubChem CID125130143
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O5S/c1-11-8-9-14(22-11)12-6-4-10-16(12)23(20,21)15-7-3-2-5-13(15)17(18)19/h2-3,5,7-9,12H,4,6,10H2,1H3/t12-/m0/s1
InChIKeyASPWLUGAHIVWLL-LBPRGKRZSA-N
XLogP3.02
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 51856140
(2R)-2-(3-methylphenyl)-1-(2-nitrophenyl)sulfonylazepane
CID 95079015
(2R)-2-(4-methoxyphenyl)-1-(2-nitrophenyl)sulfonylazepane
CID 26545104
5-ethyl-3-methyl-4-[(2S)-1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92877930
3-[(2R)-1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92877793
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
3-[1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 46366338
(2S)-1-(2-nitrophenyl)sulfonyl-2-thiophen-2-ylazepane
CID 92502849
N-methyl-1-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63250411
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
(2S)-2-(1,3-dioxolan-2-yl)-1-(2-nitrophenyl)sulfonylpiperidine
CID 52847334
(2R,3R)-2-methyl-1-(2-nitrophenyl)sulfonyl-3-phenylsulfanylpiperidine
CID 102441508

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine?
The IUPAC name of (2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine (CID 125130143) is (2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine is Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of (2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine?
The InChIKey is ASPWLUGAHIVWLL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-11-8-9-14(22-11)12-6-4-10-16(12)23(20,21)15-7-3-2-5-13(15)17(18)19/h2-3,5,7-9,12H,4,6,10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine?
(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine has a molecular weight of 336.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 125130143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).