(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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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).