(3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C18H17NO4S — CID 99903413

IUPAC(3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1O[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C18H17NO4S/c20-17-15-9-4-5-10-16(15)18(23-17)11-6-12-19(13-18)24(21,22)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2/t18-/m0/s1
InChIKeyGOQJWXLHBPZRKV-SFHVURJKSA-N
MW343.40 g/mol
LogP2.54
Rot. Bonds2

About (3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

(3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 99903413) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is (3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID99903413
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name(3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1O[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C18H17NO4S/c20-17-15-9-4-5-10-16(15)18(23-17)11-6-12-19(13-18)24(21,22)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2/t18-/m0/s1
InChIKeyGOQJWXLHBPZRKV-SFHVURJKSA-N
XLogP2.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of (3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 99903413) is (3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for (3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for (3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1O[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is GOQJWXLHBPZRKV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17NO4S/c20-17-15-9-4-5-10-16(15)18(23-17)11-6-12-19(13-18)24(21,22)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2/t18-/m0/s1.
What are the key properties of (3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
(3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 343.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(benzenesulfonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 99903413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).