(2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C17H16N2O4S — CID 97355023

IUPAC(2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1C[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)Oc2ccccc21
InChIInChI=1S/C17H16N2O4S/c20-15-10-17(23-16-6-2-1-5-14(15)16)7-9-19(12-17)24(21,22)13-4-3-8-18-11-13/h1-6,8,11H,7,9-10,12H2/t17-/m0/s1
InChIKeyZGRHZKSNOQCKAR-KRWDZBQOSA-N
MW344.39 g/mol
LogP1.88
Rot. Bonds2

About (2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

(2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 97355023) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is (2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name(2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID97355023
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name(2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1C[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)Oc2ccccc21
InChIInChI=1S/C17H16N2O4S/c20-15-10-17(23-16-6-2-1-5-14(15)16)7-9-19(12-17)24(21,22)13-4-3-8-18-11-13/h1-6,8,11H,7,9-10,12H2/t17-/m0/s1
InChIKeyZGRHZKSNOQCKAR-KRWDZBQOSA-N
XLogP1.88
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(2,3,4,5,6-pentamethylphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586051
1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586030
(2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97355035
1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586336
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260663
1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586016
(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 124849629
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
1'-(1,4-dimethylpyrazol-5-yl)sulfonylspiro[3H-chromene-2,4'-azepane]-4-one
CID 165420390
2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120718656
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of (2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 97355023) is (2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for (2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for (2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1C[C@]2(CCN(S(=O)(=O)c3cccnc3)C2)Oc2ccccc21.
What is the InChIKey of (2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is ZGRHZKSNOQCKAR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-15-10-17(23-16-6-2-1-5-14(15)16)7-9-19(12-17)24(21,22)13-4-3-8-18-11-13/h1-6,8,11H,7,9-10,12H2/t17-/m0/s1.
What are the key properties of (2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
(2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 344.39 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 97355023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).