[2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone

C18H18ClN3O3S — CID 43059308

IUPAC[2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone
SMILESO=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3S/c19-15-6-3-13(4-7-15)16-2-1-9-22(16)18(23)14-5-8-17-20-26(24,25)11-10-21(17)12-14/h3-8,12,16H,1-2,9-11H2
InChIKeySXXGGORCBSTMAS-UHFFFAOYSA-N
MW391.88 g/mol
LogP2.50
Rot. Bonds2

About [2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone

[2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone (PubChem CID 43059308) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is [2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone
PubChem CID43059308
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name[2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone
SMILESO=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O3S/c19-15-6-3-13(4-7-15)16-2-1-9-22(16)18(23)14-5-8-17-20-26(24,25)11-10-21(17)12-14/h3-8,12,16H,1-2,9-11H2
InChIKeySXXGGORCBSTMAS-UHFFFAOYSA-N
XLogP2.50
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone
CID 55587045
1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354968
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 40810687
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51935584
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32771092
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119428877

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone (CID 43059308) is [2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone is O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone?
The InChIKey is SXXGGORCBSTMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c19-15-6-3-13(4-7-15)16-2-1-9-22(16)18(23)14-5-8-17-20-26(24,25)11-10-21(17)12-14/h3-8,12,16H,1-2,9-11H2.
What are the key properties of [2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone?
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone has a molecular weight of 391.88 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)pyrrolidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone is sourced from PubChem (CID 43059308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).