2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid

C11H15FN2O5S2 — CID 171554036

IUPAC2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid
SMILESNC(CCCCNC(=O)c1cc(S(=O)(=O)F)cs1)C(=O)O
InChIInChI=1S/C11H15FN2O5S2/c12-21(18,19)7-5-9(20-6-7)10(15)14-4-2-1-3-8(13)11(16)17/h5-6,8H,1-4,13H2,(H,14,15)(H,16,17)
InChIKeyISLKPQCJKMMPPW-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.72
Rot. Bonds8

About 2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid

2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid (PubChem CID 171554036) has the molecular formula C11H15FN2O5S2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid
PubChem CID171554036
Molecular FormulaC11H15FN2O5S2
Molecular Weight338.38 g/mol
Exact Mass338.04
IUPAC Name2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid
SMILESNC(CCCCNC(=O)c1cc(S(=O)(=O)F)cs1)C(=O)O
InChIInChI=1S/C11H15FN2O5S2/c12-21(18,19)7-5-9(20-6-7)10(15)14-4-2-1-3-8(13)11(16)17/h5-6,8H,1-4,13H2,(H,14,15)(H,16,17)
InChIKeyISLKPQCJKMMPPW-UHFFFAOYSA-N
XLogP0.72
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid (CID 171554036) is 2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid is NC(CCCCNC(=O)c1cc(S(=O)(=O)F)cs1)C(=O)O.
What is the InChIKey of 2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid?
The InChIKey is ISLKPQCJKMMPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O5S2/c12-21(18,19)7-5-9(20-6-7)10(15)14-4-2-1-3-8(13)11(16)17/h5-6,8H,1-4,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid?
2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid has a molecular weight of 338.38 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 171554036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).