2-[(3-methylthiophen-2-yl)methylamino]propanamide

C9H14N2OS — CID 43402383

IUPAC2-[(3-methylthiophen-2-yl)methylamino]propanamide
SMILESCc1ccsc1CNC(C)C(N)=O
InChIInChI=1S/C9H14N2OS/c1-6-3-4-13-8(6)5-11-7(2)9(10)12/h3-4,7,11H,5H2,1-2H3,(H2,10,12)
InChIKeyWASGJOAXBWIMGY-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.02
Rot. Bonds4

About 2-[(3-methylthiophen-2-yl)methylamino]propanamide

2-[(3-methylthiophen-2-yl)methylamino]propanamide (PubChem CID 43402383) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methylamino]propanamide
PubChem CID43402383
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[(3-methylthiophen-2-yl)methylamino]propanamide
SMILESCc1ccsc1CNC(C)C(N)=O
InChIInChI=1S/C9H14N2OS/c1-6-3-4-13-8(6)5-11-7(2)9(10)12/h3-4,7,11H,5H2,1-2H3,(H2,10,12)
InChIKeyWASGJOAXBWIMGY-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]propanamide (CID 43402383) is 2-[(3-methylthiophen-2-yl)methylamino]propanamide.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methylamino]propanamide is Cc1ccsc1CNC(C)C(N)=O.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methylamino]propanamide?
The InChIKey is WASGJOAXBWIMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-3-4-13-8(6)5-11-7(2)9(10)12/h3-4,7,11H,5H2,1-2H3,(H2,10,12).
What are the key properties of 2-[(3-methylthiophen-2-yl)methylamino]propanamide?
2-[(3-methylthiophen-2-yl)methylamino]propanamide has a molecular weight of 198.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methylamino]propanamide is sourced from PubChem (CID 43402383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).