5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one

C14H14N2OS — CID 82483609

IUPAC5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3ccc(N)s3)cc21
InChIInChI=1S/C14H14N2OS/c1-14(2)9-7-8(11-5-6-12(15)18-11)3-4-10(9)16-13(14)17/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyMFVBOTUSCGRCIU-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.23
Rot. Bonds1

About 5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one

5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 82483609) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one
PubChem CID82483609
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3ccc(N)s3)cc21
InChIInChI=1S/C14H14N2OS/c1-14(2)9-7-8(11-5-6-12(15)18-11)3-4-10(9)16-13(14)17/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyMFVBOTUSCGRCIU-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one (CID 82483609) is 5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(-c3ccc(N)s3)cc21.
What is the InChIKey of 5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is MFVBOTUSCGRCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-14(2)9-7-8(11-5-6-12(15)18-11)3-4-10(9)16-13(14)17/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one?
5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 258.35 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82483609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).