1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine]

C19H22N2S2 — CID 19045491

IUPAC1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine]
SMILESc1ccc(CCN2CCC3(CC2)SCc2ccccc2S3)nc1
InChIInChI=1S/C19H22N2S2/c1-2-7-18-16(5-1)15-22-19(23-18)9-13-21(14-10-19)12-8-17-6-3-4-11-20-17/h1-7,11H,8-10,12-15H2
InChIKeyMOWKRVGSUZCXLJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.46
Rot. Bonds3

About 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine]

1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine] (PubChem CID 19045491) has the molecular formula C19H22N2S2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine].

Molecular Properties

Compound Name1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine]
PubChem CID19045491
Molecular FormulaC19H22N2S2
Molecular Weight342.53 g/mol
Exact Mass342.12
IUPAC Name1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine]
SMILESc1ccc(CCN2CCC3(CC2)SCc2ccccc2S3)nc1
InChIInChI=1S/C19H22N2S2/c1-2-7-18-16(5-1)15-22-19(23-18)9-13-21(14-10-19)12-8-17-6-3-4-11-20-17/h1-7,11H,8-10,12-15H2
InChIKeyMOWKRVGSUZCXLJ-UHFFFAOYSA-N
XLogP4.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole
CID 71973108
1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 8022497
2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine
CID 146123829
(4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
CID 125482012
1-methyl-3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 56781047
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97135359
(3S)-2-acetyl-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95873938

Frequently Asked Questions

What is the IUPAC name of 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine]?
The IUPAC name of 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine] (CID 19045491) is 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine].
What is the SMILES notation for 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine]?
The canonical SMILES for 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine] is c1ccc(CCN2CCC3(CC2)SCc2ccccc2S3)nc1.
What is the InChIKey of 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine]?
The InChIKey is MOWKRVGSUZCXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S2/c1-2-7-18-16(5-1)15-22-19(23-18)9-13-21(14-10-19)12-8-17-6-3-4-11-20-17/h1-7,11H,8-10,12-15H2.
What are the key properties of 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine]?
1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine] has a molecular weight of 342.53 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine] is sourced from PubChem (CID 19045491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).