2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid

C14H20N2O3S — CID 114594297

IUPAC2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1CC(C)C(C)N(C(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C14H20N2O3S/c1-8-6-9(2)10(3)16(7-8)14(19)15-12-11(13(17)18)4-5-20-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyIWOGSBAPGCODOI-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.34
Rot. Bonds2

About 2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid

2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 114594297) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID114594297
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1CC(C)C(C)N(C(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C14H20N2O3S/c1-8-6-9(2)10(3)16(7-8)14(19)15-12-11(13(17)18)4-5-20-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyIWOGSBAPGCODOI-UHFFFAOYSA-N
XLogP3.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63114300
2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63113580
2-[(4-methylazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63627404
2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 66073512
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)thiophene-3-carboxylic acid
CID 115560759
2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 63113917
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 112626687
2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid
CID 107175082
2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 107223804
2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 66069555
2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 102744842
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid (CID 114594297) is 2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid is CC1CC(C)C(C)N(C(=O)Nc2sccc2C(=O)O)C1.
What is the InChIKey of 2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is IWOGSBAPGCODOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-6-9(2)10(3)16(7-8)14(19)15-12-11(13(17)18)4-5-20-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 114594297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).