[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine

C13H14N2O2S2 — CID 43332884

IUPAC[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C13H14N2O2S2/c14-9-11-5-6-13(18-11)19(16,17)15-8-7-10-3-1-2-4-12(10)15/h1-6H,7-9,14H2
InChIKeyXAUDJAVSETZKOF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.96
Rot. Bonds3

About [5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine

[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine (PubChem CID 43332884) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is [5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine
PubChem CID43332884
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C13H14N2O2S2/c14-9-11-5-6-13(18-11)19(16,17)15-8-7-10-3-1-2-4-12(10)15/h1-6H,7-9,14H2
InChIKeyXAUDJAVSETZKOF-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine (CID 43332884) is [5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine is NCc1ccc(S(=O)(=O)N2CCc3ccccc32)s1.
What is the InChIKey of [5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine?
The InChIKey is XAUDJAVSETZKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c14-9-11-5-6-13(18-11)19(16,17)15-8-7-10-3-1-2-4-12(10)15/h1-6H,7-9,14H2.
What are the key properties of [5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine?
[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine has a molecular weight of 294.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 43332884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).