4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid

C13H19NO3S — CID 65284024

IUPAC4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
SMILESCC(C)(CCNC(=O)c1cccs1)CCC(=O)O
InChIInChI=1S/C13H19NO3S/c1-13(2,6-5-11(15)16)7-8-14-12(17)10-4-3-9-18-10/h3-4,9H,5-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYEOJQGQBZLFBQK-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.76
Rot. Bonds7

About 4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid

4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid (PubChem CID 65284024) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
PubChem CID65284024
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
SMILESCC(C)(CCNC(=O)c1cccs1)CCC(=O)O
InChIInChI=1S/C13H19NO3S/c1-13(2,6-5-11(15)16)7-8-14-12(17)10-4-3-9-18-10/h3-4,9H,5-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYEOJQGQBZLFBQK-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
2-[methyl-[4-(thiophene-2-carbonylamino)butanoyl]amino]acetic acid
CID 43171140
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 119524372
4-methyl-4-[2-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 62042861
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 39698381
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 111334739

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid (CID 65284024) is 4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid is CC(C)(CCNC(=O)c1cccs1)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid?
The InChIKey is YEOJQGQBZLFBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2,6-5-11(15)16)7-8-14-12(17)10-4-3-9-18-10/h3-4,9H,5-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid?
4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid is sourced from PubChem (CID 65284024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).