6-oxo-6-(thiophen-3-ylamino)hexanoic acid

C10H13NO3S — CID 66350156

IUPAC6-oxo-6-(thiophen-3-ylamino)hexanoic acid
SMILESO=C(O)CCCCC(=O)Nc1ccsc1
InChIInChI=1S/C10H13NO3S/c12-9(3-1-2-4-10(13)14)11-8-5-6-15-7-8/h5-7H,1-4H2,(H,11,12)(H,13,14)
InChIKeySSRRXRFXADASGW-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.33
Rot. Bonds6

About 6-oxo-6-(thiophen-3-ylamino)hexanoic acid

6-oxo-6-(thiophen-3-ylamino)hexanoic acid (PubChem CID 66350156) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 6-oxo-6-(thiophen-3-ylamino)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(thiophen-3-ylamino)hexanoic acid
PubChem CID66350156
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name6-oxo-6-(thiophen-3-ylamino)hexanoic acid
SMILESO=C(O)CCCCC(=O)Nc1ccsc1
InChIInChI=1S/C10H13NO3S/c12-9(3-1-2-4-10(13)14)11-8-5-6-15-7-8/h5-7H,1-4H2,(H,11,12)(H,13,14)
InChIKeySSRRXRFXADASGW-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.33
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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Related Compounds

4-chloro-N-thiophen-3-ylbutanamide
CID 66352814
N-thiophen-3-ylbutanamide
CID 57133126
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
thiophen-3-amine;N-thiophen-3-ylpentanamide
CID 158253806
2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid
CID 104570094
6-oxo-6-(4-sulfanylanilino)hexanoic acid
CID 139939209
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
3-(tert-butylamino)-N-thiophen-3-ylpropanamide
CID 66351972
8-[4-(hydroxymethyl)anilino]-8-oxooctanoic acid
CID 57326777
8-oxo-8-(4-phenylanilino)octanoic acid
CID 23092302

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(thiophen-3-ylamino)hexanoic acid?
The IUPAC name of 6-oxo-6-(thiophen-3-ylamino)hexanoic acid (CID 66350156) is 6-oxo-6-(thiophen-3-ylamino)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(thiophen-3-ylamino)hexanoic acid?
The canonical SMILES for 6-oxo-6-(thiophen-3-ylamino)hexanoic acid is O=C(O)CCCCC(=O)Nc1ccsc1.
What is the InChIKey of 6-oxo-6-(thiophen-3-ylamino)hexanoic acid?
The InChIKey is SSRRXRFXADASGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c12-9(3-1-2-4-10(13)14)11-8-5-6-15-7-8/h5-7H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 6-oxo-6-(thiophen-3-ylamino)hexanoic acid?
6-oxo-6-(thiophen-3-ylamino)hexanoic acid has a molecular weight of 227.28 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(thiophen-3-ylamino)hexanoic acid is sourced from PubChem (CID 66350156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).