(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine

C10H15NO3S — CID 95770649

IUPAC(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
SMILESCc1ccc([C@@H]2CCCN2S(C)(=O)=O)o1
InChIInChI=1S/C10H15NO3S/c1-8-5-6-10(14-8)9-4-3-7-11(9)15(2,12)13/h5-6,9H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeySPNITBCZZPRZSL-VIFPVBQESA-N
MW229.30 g/mol
LogP1.68
Rot. Bonds2

About (2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine

(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine (PubChem CID 95770649) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is (2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
PubChem CID95770649
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
SMILESCc1ccc([C@@H]2CCCN2S(C)(=O)=O)o1
InChIInChI=1S/C10H15NO3S/c1-8-5-6-10(14-8)9-4-3-7-11(9)15(2,12)13/h5-6,9H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeySPNITBCZZPRZSL-VIFPVBQESA-N
XLogP1.68
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
(3aS,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 98775014
(3aR,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511044
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 95770651
(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 125130143
(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine
CID 95770658
1-ethyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepane
CID 124736975
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
(2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine
CID 124888744
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide
CID 71929395
trans-(1S,2S)-2-[[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylamino]cyclopentane-1-carboxamide
CID 124860154

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine?
The IUPAC name of (2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine (CID 95770649) is (2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine is Cc1ccc([C@@H]2CCCN2S(C)(=O)=O)o1.
What is the InChIKey of (2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine?
The InChIKey is SPNITBCZZPRZSL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8-5-6-10(14-8)9-4-3-7-11(9)15(2,12)13/h5-6,9H,3-4,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine?
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine has a molecular weight of 229.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 95770649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).