(3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one

C19H20N2O3S — CID 95716062

IUPAC(3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C19H20N2O3S/c1-20-17-11-6-5-10-16(17)19(18(20)22)12-7-13-21(14-19)25(23,24)15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3/t19-/m0/s1
InChIKeyWYWDNRUGIVESCS-IBGZPJMESA-N
MW356.45 g/mol
LogP2.39
Rot. Bonds2

About (3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one

(3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one (PubChem CID 95716062) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
PubChem CID95716062
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name(3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C19H20N2O3S/c1-20-17-11-6-5-10-16(17)19(18(20)22)12-7-13-21(14-19)25(23,24)15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3/t19-/m0/s1
InChIKeyWYWDNRUGIVESCS-IBGZPJMESA-N
XLogP2.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of (3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one (CID 95716062) is (3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one is CN1C(=O)[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The InChIKey is WYWDNRUGIVESCS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-20-17-11-6-5-10-16(17)19(18(20)22)12-7-13-21(14-19)25(23,24)15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3/t19-/m0/s1.
What are the key properties of (3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
(3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one has a molecular weight of 356.45 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95716062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).