3-amino-N-thiophen-3-ylpentanamide

C9H14N2OS — CID 67781338

IUPAC3-amino-N-thiophen-3-ylpentanamide
SMILESCCC(N)CC(=O)Nc1ccsc1
InChIInChI=1S/C9H14N2OS/c1-2-7(10)5-9(12)11-8-3-4-13-6-8/h3-4,6-7H,2,5,10H2,1H3,(H,11,12)
InChIKeyYYLSYWUTXSZGGV-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.81
Rot. Bonds4

About 3-amino-N-thiophen-3-ylpentanamide

3-amino-N-thiophen-3-ylpentanamide (PubChem CID 67781338) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-amino-N-thiophen-3-ylpentanamide.

Molecular Properties

Compound Name3-amino-N-thiophen-3-ylpentanamide
PubChem CID67781338
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-amino-N-thiophen-3-ylpentanamide
SMILESCCC(N)CC(=O)Nc1ccsc1
InChIInChI=1S/C9H14N2OS/c1-2-7(10)5-9(12)11-8-3-4-13-6-8/h3-4,6-7H,2,5,10H2,1H3,(H,11,12)
InChIKeyYYLSYWUTXSZGGV-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-thiophen-3-ylpentanamide?
The IUPAC name of 3-amino-N-thiophen-3-ylpentanamide (CID 67781338) is 3-amino-N-thiophen-3-ylpentanamide.
What is the SMILES notation for 3-amino-N-thiophen-3-ylpentanamide?
The canonical SMILES for 3-amino-N-thiophen-3-ylpentanamide is CCC(N)CC(=O)Nc1ccsc1.
What is the InChIKey of 3-amino-N-thiophen-3-ylpentanamide?
The InChIKey is YYLSYWUTXSZGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-7(10)5-9(12)11-8-3-4-13-6-8/h3-4,6-7H,2,5,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-N-thiophen-3-ylpentanamide?
3-amino-N-thiophen-3-ylpentanamide has a molecular weight of 198.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-thiophen-3-ylpentanamide is sourced from PubChem (CID 67781338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).