3-methyl-2-thiophen-3-ylhexanamide

C11H17NOS — CID 3056599

IUPAC3-methyl-2-thiophen-3-ylhexanamide
SMILESCCCC(C)C(C(N)=O)c1ccsc1
InChIInChI=1S/C11H17NOS/c1-3-4-8(2)10(11(12)13)9-5-6-14-7-9/h5-8,10H,3-4H2,1-2H3,(H2,12,13)
InChIKeyXCTUULZUGZTQJL-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.75
Rot. Bonds5

About 3-methyl-2-thiophen-3-ylhexanamide

3-methyl-2-thiophen-3-ylhexanamide (PubChem CID 3056599) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-methyl-2-thiophen-3-ylhexanamide.

Molecular Properties

Compound Name3-methyl-2-thiophen-3-ylhexanamide
PubChem CID3056599
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-methyl-2-thiophen-3-ylhexanamide
SMILESCCCC(C)C(C(N)=O)c1ccsc1
InChIInChI=1S/C11H17NOS/c1-3-4-8(2)10(11(12)13)9-5-6-14-7-9/h5-8,10H,3-4H2,1-2H3,(H2,12,13)
InChIKeyXCTUULZUGZTQJL-UHFFFAOYSA-N
XLogP2.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.75
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-ylhexanamide?
The IUPAC name of 3-methyl-2-thiophen-3-ylhexanamide (CID 3056599) is 3-methyl-2-thiophen-3-ylhexanamide.
What is the SMILES notation for 3-methyl-2-thiophen-3-ylhexanamide?
The canonical SMILES for 3-methyl-2-thiophen-3-ylhexanamide is CCCC(C)C(C(N)=O)c1ccsc1.
What is the InChIKey of 3-methyl-2-thiophen-3-ylhexanamide?
The InChIKey is XCTUULZUGZTQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-4-8(2)10(11(12)13)9-5-6-14-7-9/h5-8,10H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 3-methyl-2-thiophen-3-ylhexanamide?
3-methyl-2-thiophen-3-ylhexanamide has a molecular weight of 211.33 g/mol, XLogP of 2.75, 5 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-ylhexanamide is sourced from PubChem (CID 3056599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).