2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid

C14H21N3O3S — CID 63113816

IUPAC2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCN1CCC(N(C)C(=O)Nc2sccc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O3S/c1-3-17-7-4-10(5-8-17)16(2)14(20)15-12-11(13(18)19)6-9-21-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeySUGZSJIUSCKXSX-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.39
Rot. Bonds4

About 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid

2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63113816) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63113816
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCN1CCC(N(C)C(=O)Nc2sccc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O3S/c1-3-17-7-4-10(5-8-17)16(2)14(20)15-12-11(13(18)19)6-9-21-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeySUGZSJIUSCKXSX-UHFFFAOYSA-N
XLogP2.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid (CID 63113816) is 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid is CCN1CCC(N(C)C(=O)Nc2sccc2C(=O)O)CC1.
What is the InChIKey of 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is SUGZSJIUSCKXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-17-7-4-10(5-8-17)16(2)14(20)15-12-11(13(18)19)6-9-21-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63113816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).