4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid

C13H19NO3S — CID 65284027

IUPAC4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid
SMILESCC(C)(CCNC(=O)c1ccsc1)CCC(=O)O
InChIInChI=1S/C13H19NO3S/c1-13(2,5-3-11(15)16)6-7-14-12(17)10-4-8-18-9-10/h4,8-9H,3,5-7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyGEYSPVXWNRMCDR-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.76
Rot. Bonds7

About 4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid

4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid (PubChem CID 65284027) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid
PubChem CID65284027
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid
SMILESCC(C)(CCNC(=O)c1ccsc1)CCC(=O)O
InChIInChI=1S/C13H19NO3S/c1-13(2,5-3-11(15)16)6-7-14-12(17)10-4-8-18-9-10/h4,8-9H,3,5-7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyGEYSPVXWNRMCDR-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

6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid
CID 65284317
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
CID 65284024
2-methyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]propanoic acid
CID 61263000
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
3-hydroxy-3-methyl-4-(thiophene-3-carbonylamino)butanoic acid
CID 66000914
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
N-[2-(propylamino)ethyl]thiophene-3-carboxamide
CID 62658821
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65283971

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid (CID 65284027) is 4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid is CC(C)(CCNC(=O)c1ccsc1)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid?
The InChIKey is GEYSPVXWNRMCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2,5-3-11(15)16)6-7-14-12(17)10-4-8-18-9-10/h4,8-9H,3,5-7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4,4-dimethyl-6-(thiophene-3-carbonylamino)hexanoic acid?
4,4-dimethyl-6-(thiophene-3-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-3-carbonylamino)hexanoic acid is sourced from PubChem (CID 65284027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).