1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide

C12H17N3O2S — CID 61106763

IUPAC1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1sccc1N
InChIInChI=1S/C12H17N3O2S/c1-14-11(16)9-4-2-3-6-15(9)12(17)10-8(13)5-7-18-10/h5,7,9H,2-4,6,13H2,1H3,(H,14,16)
InChIKeyJVJOEYHSEPSFRF-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.07
Rot. Bonds2

About 1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide

1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide (PubChem CID 61106763) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide
PubChem CID61106763
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1sccc1N
InChIInChI=1S/C12H17N3O2S/c1-14-11(16)9-4-2-3-6-15(9)12(17)10-8(13)5-7-18-10/h5,7,9H,2-4,6,13H2,1H3,(H,14,16)
InChIKeyJVJOEYHSEPSFRF-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 63374706
(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052263
1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
1-(2-amino-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 63110168
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629
1-(4-amino-1-methylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 65359724
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
(2S)-1-(3-ethylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66264413
1-(4-amino-1-methylpyrazole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 65354173
1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 62083003
1-(4-amino-3-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 62681861
1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 62815781

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide (CID 61106763) is 1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1sccc1N.
What is the InChIKey of 1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is JVJOEYHSEPSFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-14-11(16)9-4-2-3-6-15(9)12(17)10-8(13)5-7-18-10/h5,7,9H,2-4,6,13H2,1H3,(H,14,16).
What are the key properties of 1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide?
1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 61106763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).