5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide

C12H14ClN3O2S — CID 156745004

IUPAC5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide
SMILESC=C1CCC(NC(=O)c2cc(Cl)sc2NC)C(=O)N1
InChIInChI=1S/C12H14ClN3O2S/c1-6-3-4-8(11(18)15-6)16-10(17)7-5-9(13)19-12(7)14-2/h5,8,14H,1,3-4H2,2H3,(H,15,18)(H,16,17)
InChIKeyVDUSCGPNGAQGIP-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.97
Rot. Bonds3

About 5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide

5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide (PubChem CID 156745004) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide
PubChem CID156745004
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide
SMILESC=C1CCC(NC(=O)c2cc(Cl)sc2NC)C(=O)N1
InChIInChI=1S/C12H14ClN3O2S/c1-6-3-4-8(11(18)15-6)16-10(17)7-5-9(13)19-12(7)14-2/h5,8,14H,1,3-4H2,2H3,(H,15,18)(H,16,17)
InChIKeyVDUSCGPNGAQGIP-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296597
4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 167647100
N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
CID 168987751
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618531
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide
CID 167770120
N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one
CID 156745130
2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 167377021

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide (CID 156745004) is 5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide is C=C1CCC(NC(=O)c2cc(Cl)sc2NC)C(=O)N1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide?
The InChIKey is VDUSCGPNGAQGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-6-3-4-8(11(18)15-6)16-10(17)7-5-9(13)19-12(7)14-2/h5,8,14H,1,3-4H2,2H3,(H,15,18)(H,16,17).
What are the key properties of 5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide?
5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide has a molecular weight of 299.78 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 156745004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).