(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one

C20H19N3O2S — CID 95725341

IUPAC(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)[C@@]2(CCCN(C(=O)c3cc4sccc4[nH]3)C2)c2ccccc21
InChIInChI=1S/C20H19N3O2S/c1-22-16-6-3-2-5-13(16)20(19(22)25)8-4-9-23(12-20)18(24)15-11-17-14(21-15)7-10-26-17/h2-3,5-7,10-11,21H,4,8-9,12H2,1H3/t20-/m1/s1
InChIKeyNFPHHYDFNOQXPW-HXUWFJFHSA-N
MW365.46 g/mol
LogP3.38
Rot. Bonds1

About (3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one

(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one (PubChem CID 95725341) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
PubChem CID95725341
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)[C@@]2(CCCN(C(=O)c3cc4sccc4[nH]3)C2)c2ccccc21
InChIInChI=1S/C20H19N3O2S/c1-22-16-6-3-2-5-13(16)20(19(22)25)8-4-9-23(12-20)18(24)15-11-17-14(21-15)7-10-26-17/h2-3,5-7,10-11,21H,4,8-9,12H2,1H3/t20-/m1/s1
InChIKeyNFPHHYDFNOQXPW-HXUWFJFHSA-N
XLogP3.38
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56894304
7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56751168
1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 56889274
[(3S)-3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95202361
1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 171906991
(3S)-1-methyl-1'-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 126436971
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50968436
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243
(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95103905
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56909632
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of (3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one (CID 95725341) is (3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one is CN1C(=O)[C@@]2(CCCN(C(=O)c3cc4sccc4[nH]3)C2)c2ccccc21.
What is the InChIKey of (3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The InChIKey is NFPHHYDFNOQXPW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-22-16-6-3-2-5-13(16)20(19(22)25)8-4-9-23(12-20)18(24)15-11-17-14(21-15)7-10-26-17/h2-3,5-7,10-11,21H,4,8-9,12H2,1H3/t20-/m1/s1.
What are the key properties of (3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one has a molecular weight of 365.46 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95725341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).