3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide

C12H15ClN2O2S — CID 86284656

IUPAC3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide
SMILESCN1CC(CN(C)C(=O)c2sccc2Cl)CC1=O
InChIInChI=1S/C12H15ClN2O2S/c1-14-6-8(5-10(14)16)7-15(2)12(17)11-9(13)3-4-18-11/h3-4,8H,5-7H2,1-2H3
InChIKeyZZQKWIQJVVSZPX-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.95
Rot. Bonds3

About 3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide

3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 86284656) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID86284656
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide
SMILESCN1CC(CN(C)C(=O)c2sccc2Cl)CC1=O
InChIInChI=1S/C12H15ClN2O2S/c1-14-6-8(5-10(14)16)7-15(2)12(17)11-9(13)3-4-18-11/h3-4,8H,5-7H2,1-2H3
InChIKeyZZQKWIQJVVSZPX-UHFFFAOYSA-N
XLogP1.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Chlorothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 1247382
Ethyl 1-[(3-chloro-2-thienyl)carbonyl]-4-piperidinecarboxylate
CID 2813095
(3R*,4S*)-1-[(3-chloro-2-thienyl)carbonyl]-4-cyclopropylpyrrolidin-3-amine
CID 72925738
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 110875873
3-Chloro-N-isopropyl-2-thiophenecarboxamide
CID 24212757
((3R*,4R*)-1-[(3-chloro-2-thienyl)carbonyl]-4-{[(2-methoxyethyl)(methyl)amino]methyl}-3-pyrrolidinyl)methanol
CID 72924209
3-[4-(5-Chlorothiophene-2-carbonyl)piperazin-1-YL]-1-(3-methylbutyl)pyrrolidin-2-one
CID 91925899
8-[(5-Chloro-2-thienyl)carbonyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70754635
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-N-methylthiophene-2-carboxamide
CID 121527734
3-Chloro-N-(3-hydroxy-3-methylbutyl)-N-methylthiophene-2-carboxamide
CID 124217465
2-[(3R)-1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 129623855
(3-chloro-4-methylthiophen-2-yl)-[(3S)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone
CID 164638882

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide (CID 86284656) is 3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide is CN1CC(CN(C)C(=O)c2sccc2Cl)CC1=O.
What is the InChIKey of 3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZZQKWIQJVVSZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-14-6-8(5-10(14)16)7-15(2)12(17)11-9(13)3-4-18-11/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 286.78 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 86284656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).