2-amino-N-(1-thiophen-2-ylethyl)butanamide

C10H16N2OS — CID 43649617

IUPAC2-amino-N-(1-thiophen-2-ylethyl)butanamide
SMILESCCC(N)C(=O)NC(C)c1cccs1
InChIInChI=1S/C10H16N2OS/c1-3-8(11)10(13)12-7(2)9-5-4-6-14-9/h4-8H,3,11H2,1-2H3,(H,12,13)
InChIKeyICBPNXNIIVHBPZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.66
Rot. Bonds4

About 2-amino-N-(1-thiophen-2-ylethyl)butanamide

2-amino-N-(1-thiophen-2-ylethyl)butanamide (PubChem CID 43649617) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-amino-N-(1-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1-thiophen-2-ylethyl)butanamide
PubChem CID43649617
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-amino-N-(1-thiophen-2-ylethyl)butanamide
SMILESCCC(N)C(=O)NC(C)c1cccs1
InChIInChI=1S/C10H16N2OS/c1-3-8(11)10(13)12-7(2)9-5-4-6-14-9/h4-8H,3,11H2,1-2H3,(H,12,13)
InChIKeyICBPNXNIIVHBPZ-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-thiophen-2-ylethyl)butanamide?
The IUPAC name of 2-amino-N-(1-thiophen-2-ylethyl)butanamide (CID 43649617) is 2-amino-N-(1-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 2-amino-N-(1-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 2-amino-N-(1-thiophen-2-ylethyl)butanamide is CCC(N)C(=O)NC(C)c1cccs1.
What is the InChIKey of 2-amino-N-(1-thiophen-2-ylethyl)butanamide?
The InChIKey is ICBPNXNIIVHBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-8(11)10(13)12-7(2)9-5-4-6-14-9/h4-8H,3,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-(1-thiophen-2-ylethyl)butanamide?
2-amino-N-(1-thiophen-2-ylethyl)butanamide has a molecular weight of 212.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 43649617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).