N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

C11H16N2O5S2 — CID 146210573

IUPACN-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2ccco2)C1
InChIInChI=1S/C11H16N2O5S2/c1-2-19(14,15)12-8-10-5-6-13(9-10)20(16,17)11-4-3-7-18-11/h2-4,7,10,12H,1,5-6,8-9H2/t10-/m1/s1
InChIKeyILICAHAVRRYWPP-SNVBAGLBSA-N
MW320.39 g/mol
LogP0.35
Rot. Bonds6

About N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146210573) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146210573
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC NameN-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2ccco2)C1
InChIInChI=1S/C11H16N2O5S2/c1-2-19(14,15)12-8-10-5-6-13(9-10)20(16,17)11-4-3-7-18-11/h2-4,7,10,12H,1,5-6,8-9H2/t10-/m1/s1
InChIKeyILICAHAVRRYWPP-SNVBAGLBSA-N
XLogP0.35
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146210573) is N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2ccco2)C1.
What is the InChIKey of N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is ILICAHAVRRYWPP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-2-19(14,15)12-8-10-5-6-13(9-10)20(16,17)11-4-3-7-18-11/h2-4,7,10,12H,1,5-6,8-9H2/t10-/m1/s1.
What are the key properties of N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 320.39 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146210573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).