1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide

C18H24N2O2S2 — CID 86915871

IUPAC1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C18H24N2O2S2/c1-19(2)17(22)15-5-3-10-20(15)16(21)13-6-8-14(9-7-13)18-23-11-4-12-24-18/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyBVZASWRUDRRYDJ-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.25
Rot. Bonds3

About 1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 86915871) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID86915871
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C18H24N2O2S2/c1-19(2)17(22)15-5-3-10-20(15)16(21)13-6-8-14(9-7-13)18-23-11-4-12-24-18/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyBVZASWRUDRRYDJ-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-dithiolan-2-yl)benzoyl]piperidine-2-carboxamide
CID 112758779
N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 134026773
[4-(1,3-dithian-2-yl)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 86979053
N,N-dimethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43420149
1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 78949483
[4-(1,3-dithiolan-2-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650154
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
[4-(1,3-dithian-2-yl)phenyl]-(2-pyridin-4-ylazepan-1-yl)methanone
CID 86998562
1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60710234
N-[[1-[4-(1,3-dithian-2-yl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073333

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 86915871) is 1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1ccc(C2SCCCS2)cc1.
What is the InChIKey of 1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is BVZASWRUDRRYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-19(2)17(22)15-5-3-10-20(15)16(21)13-6-8-14(9-7-13)18-23-11-4-12-24-18/h6-9,15,18H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 364.54 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dithian-2-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 86915871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).