2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide

C11H16N2OS — CID 62840901

IUPAC2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
SMILESCC(NC1CCCc2sccc21)C(N)=O
InChIInChI=1S/C11H16N2OS/c1-7(11(12)14)13-9-3-2-4-10-8(9)5-6-15-10/h5-7,9,13H,2-4H2,1H3,(H2,12,14)
InChIKeyAJRMFFSCQIGMFZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.59
Rot. Bonds3

About 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide

2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide (PubChem CID 62840901) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
PubChem CID62840901
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
SMILESCC(NC1CCCc2sccc21)C(N)=O
InChIInChI=1S/C11H16N2OS/c1-7(11(12)14)13-9-3-2-4-10-8(9)5-6-15-10/h5-7,9,13H,2-4H2,1H3,(H2,12,14)
InChIKeyAJRMFFSCQIGMFZ-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide (CID 62840901) is 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide is CC(NC1CCCc2sccc21)C(N)=O.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The InChIKey is AJRMFFSCQIGMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7(11(12)14)13-9-3-2-4-10-8(9)5-6-15-10/h5-7,9,13H,2-4H2,1H3,(H2,12,14).
What are the key properties of 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide has a molecular weight of 224.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide is sourced from PubChem (CID 62840901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).