(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide

C12H20N2O3S — CID 99782185

IUPAC(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)[C@H]1CCN(Cc2ccc(C)o2)C1
InChIInChI=1S/C12H20N2O3S/c1-3-13-18(15,16)12-6-7-14(9-12)8-11-5-4-10(2)17-11/h4-5,12-13H,3,6-9H2,1-2H3/t12-/m0/s1
InChIKeyGPXSVMHTMPZVTL-LBPRGKRZSA-N
MW272.37 g/mol
LogP1.10
Rot. Bonds5

About (3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide

(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide (PubChem CID 99782185) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
PubChem CID99782185
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)[C@H]1CCN(Cc2ccc(C)o2)C1
InChIInChI=1S/C12H20N2O3S/c1-3-13-18(15,16)12-6-7-14(9-12)8-11-5-4-10(2)17-11/h4-5,12-13H,3,6-9H2,1-2H3/t12-/m0/s1
InChIKeyGPXSVMHTMPZVTL-LBPRGKRZSA-N
XLogP1.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 75500088
1-[(5-cyanofuran-2-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 75500092
1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183067
N-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-amine
CID 62524559
N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 75518432
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 62524561
1-(2H-chromen-3-ylmethyl)-N-ethylpyrrolidine-3-sulfonamide
CID 86785232
1-[(5-methylfuran-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62524387
(5aR,9aS)-8-[(5-methylfuran-2-yl)methyl]-4-methylsulfonyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97409986
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
N-[1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129006730

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide?
The IUPAC name of (3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide (CID 99782185) is (3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for (3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for (3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide is CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(C)o2)C1.
What is the InChIKey of (3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide?
The InChIKey is GPXSVMHTMPZVTL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-13-18(15,16)12-6-7-14(9-12)8-11-5-4-10(2)17-11/h4-5,12-13H,3,6-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide?
(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 99782185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).