(3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide

C11H14N2O3S — CID 124618391

IUPAC(3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide
SMILESNS(=O)(=O)N1CC[C@]2(C1)OCc1ccccc12
InChIInChI=1S/C11H14N2O3S/c12-17(14,15)13-6-5-11(8-13)10-4-2-1-3-9(10)7-16-11/h1-4H,5-8H2,(H2,12,14,15)/t11-/m1/s1
InChIKeyVEICYFFBCQTMDG-LLVKDONJSA-N
MW254.31 g/mol
LogP0.32
Rot. Bonds1

About (3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide

(3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide (PubChem CID 124618391) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is (3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide.

Molecular Properties

Compound Name(3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide
PubChem CID124618391
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name(3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide
SMILESNS(=O)(=O)N1CC[C@]2(C1)OCc1ccccc12
InChIInChI=1S/C11H14N2O3S/c12-17(14,15)13-6-5-11(8-13)10-4-2-1-3-9(10)7-16-11/h1-4H,5-8H2,(H2,12,14,15)/t11-/m1/s1
InChIKeyVEICYFFBCQTMDG-LLVKDONJSA-N
XLogP0.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
(3S)-1'-(4-ethylsulfonylphenyl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 100665673
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
2-[(3R)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl]-5-sulfamoylbenzoic acid
CID 164639782
2-phenylsulfanyl-1-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]ethanone
CID 124618956
(1-pyridin-2-ylcyclopropyl)-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]methanone
CID 141133211
(3R)-1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-azepane]
CID 59320735
N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
CID 18700233
[1-(4-cyclopropylphenyl)cyclopropyl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 68860403
2-(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)sulfanylacetic acid
CID 70254343
1'-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)spiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 154743570

Frequently Asked Questions

What is the IUPAC name of (3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide?
The IUPAC name of (3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide (CID 124618391) is (3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide.
What is the SMILES notation for (3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide?
The canonical SMILES for (3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide is NS(=O)(=O)N1CC[C@]2(C1)OCc1ccccc12.
What is the InChIKey of (3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide?
The InChIKey is VEICYFFBCQTMDG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N2O3S/c12-17(14,15)13-6-5-11(8-13)10-4-2-1-3-9(10)7-16-11/h1-4H,5-8H2,(H2,12,14,15)/t11-/m1/s1.
What are the key properties of (3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide?
(3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide is sourced from PubChem (CID 124618391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).