3-methyl-2-thiophen-3-ylbutanamide

C9H13NOS — CID 3056607

IUPAC3-methyl-2-thiophen-3-ylbutanamide
SMILESCC(C)C(C(N)=O)c1ccsc1
InChIInChI=1S/C9H13NOS/c1-6(2)8(9(10)11)7-3-4-12-5-7/h3-6,8H,1-2H3,(H2,10,11)
InChIKeyNUQLOYWTPKFBFT-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.97
Rot. Bonds3

About 3-methyl-2-thiophen-3-ylbutanamide

3-methyl-2-thiophen-3-ylbutanamide (PubChem CID 3056607) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-methyl-2-thiophen-3-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-thiophen-3-ylbutanamide
PubChem CID3056607
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name3-methyl-2-thiophen-3-ylbutanamide
SMILESCC(C)C(C(N)=O)c1ccsc1
InChIInChI=1S/C9H13NOS/c1-6(2)8(9(10)11)7-3-4-12-5-7/h3-6,8H,1-2H3,(H2,10,11)
InChIKeyNUQLOYWTPKFBFT-UHFFFAOYSA-N
XLogP1.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-3-ylbutanamide?
The IUPAC name of 3-methyl-2-thiophen-3-ylbutanamide (CID 3056607) is 3-methyl-2-thiophen-3-ylbutanamide.
What is the SMILES notation for 3-methyl-2-thiophen-3-ylbutanamide?
The canonical SMILES for 3-methyl-2-thiophen-3-ylbutanamide is CC(C)C(C(N)=O)c1ccsc1.
What is the InChIKey of 3-methyl-2-thiophen-3-ylbutanamide?
The InChIKey is NUQLOYWTPKFBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6(2)8(9(10)11)7-3-4-12-5-7/h3-6,8H,1-2H3,(H2,10,11).
What are the key properties of 3-methyl-2-thiophen-3-ylbutanamide?
3-methyl-2-thiophen-3-ylbutanamide has a molecular weight of 183.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-3-ylbutanamide is sourced from PubChem (CID 3056607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).