(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one

C20H20N2O4S — CID 95716797

IUPAC(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C20H20N2O4S/c1-27(25,26)15-9-7-14(8-10-15)18(23)22-12-4-11-20(13-22)16-5-2-3-6-17(16)21-19(20)24/h2-3,5-10H,4,11-13H2,1H3,(H,21,24)/t20-/m0/s1
InChIKeyGGRWZRRDSLELAM-FQEVSTJZSA-N
MW384.46 g/mol
LogP2.22
Rot. Bonds2

About (3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one

(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 95716797) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is (3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID95716797
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C20H20N2O4S/c1-27(25,26)15-9-7-14(8-10-15)18(23)22-12-4-11-20(13-22)16-5-2-3-6-17(16)21-19(20)24/h2-3,5-10H,4,11-13H2,1H3,(H,21,24)/t20-/m0/s1
InChIKeyGGRWZRRDSLELAM-FQEVSTJZSA-N
XLogP2.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of (3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 95716797) is (3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one is CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)cc1.
What is the InChIKey of (3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is GGRWZRRDSLELAM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-27(25,26)15-9-7-14(8-10-15)18(23)22-12-4-11-20(13-22)16-5-2-3-6-17(16)21-19(20)24/h2-3,5-10H,4,11-13H2,1H3,(H,21,24)/t20-/m0/s1.
What are the key properties of (3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one?
(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 384.46 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95716797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).