7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid

C13H10N2O2S2 — CID 126635122

IUPAC7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(NSc3cccs3)c2[nH]1
InChIInChI=1S/C13H10N2O2S2/c16-13(17)10-7-8-3-1-4-9(12(8)14-10)15-19-11-5-2-6-18-11/h1-7,14-15H,(H,16,17)
InChIKeyKVLAZRQPTYZYDZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.05
Rot. Bonds4

About 7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid

7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid (PubChem CID 126635122) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid
PubChem CID126635122
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(NSc3cccs3)c2[nH]1
InChIInChI=1S/C13H10N2O2S2/c16-13(17)10-7-8-3-1-4-9(12(8)14-10)15-19-11-5-2-6-18-11/h1-7,14-15H,(H,16,17)
InChIKeyKVLAZRQPTYZYDZ-UHFFFAOYSA-N
XLogP4.05
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid?
The IUPAC name of 7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid (CID 126635122) is 7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid is O=C(O)c1cc2cccc(NSc3cccs3)c2[nH]1.
What is the InChIKey of 7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid?
The InChIKey is KVLAZRQPTYZYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c16-13(17)10-7-8-3-1-4-9(12(8)14-10)15-19-11-5-2-6-18-11/h1-7,14-15H,(H,16,17).
What are the key properties of 7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid?
7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 126635122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).