6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide

C12H20N2OS — CID 60862006

IUPAC6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide
SMILESCc1cc(C(N)CCCCC(N)=O)c(C)s1
InChIInChI=1S/C12H20N2OS/c1-8-7-10(9(2)16-8)11(13)5-3-4-6-12(14)15/h7,11H,3-6,13H2,1-2H3,(H2,14,15)
InChIKeyKHRJGZJBNBISKF-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.41
Rot. Bonds6

About 6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide

6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide (PubChem CID 60862006) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide.

Molecular Properties

Compound Name6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide
PubChem CID60862006
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide
SMILESCc1cc(C(N)CCCCC(N)=O)c(C)s1
InChIInChI=1S/C12H20N2OS/c1-8-7-10(9(2)16-8)11(13)5-3-4-6-12(14)15/h7,11H,3-6,13H2,1-2H3,(H2,14,15)
InChIKeyKHRJGZJBNBISKF-UHFFFAOYSA-N
XLogP2.41
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide?
The IUPAC name of 6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide (CID 60862006) is 6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide.
What is the SMILES notation for 6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide?
The canonical SMILES for 6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide is Cc1cc(C(N)CCCCC(N)=O)c(C)s1.
What is the InChIKey of 6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide?
The InChIKey is KHRJGZJBNBISKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-7-10(9(2)16-8)11(13)5-3-4-6-12(14)15/h7,11H,3-6,13H2,1-2H3,(H2,14,15).
What are the key properties of 6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide?
6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide has a molecular weight of 240.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide is sourced from PubChem (CID 60862006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).