5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one

C15H16N2OS — CID 96668624

IUPAC5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3cscc3CN)cc21
InChIInChI=1S/C15H16N2OS/c1-15(2)12-5-9(3-4-13(12)17-14(15)18)11-8-19-7-10(11)6-16/h3-5,7-8H,6,16H2,1-2H3,(H,17,18)
InChIKeyFHVKBKINHFFVSK-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.10
Rot. Bonds2

About 5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one

5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 96668624) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one
PubChem CID96668624
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3cscc3CN)cc21
InChIInChI=1S/C15H16N2OS/c1-15(2)12-5-9(3-4-13(12)17-14(15)18)11-8-19-7-10(11)6-16/h3-5,7-8H,6,16H2,1-2H3,(H,17,18)
InChIKeyFHVKBKINHFFVSK-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82483609
5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one
CID 82478007
5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one
CID 82487599
5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one
CID 82478006
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one
CID 90864902
3,3-dimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one;hydrate
CID 71461697
5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one
CID 82482219
5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019
5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82475951
5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one
CID 127614452

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one (CID 96668624) is 5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(-c3cscc3CN)cc21.
What is the InChIKey of 5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is FHVKBKINHFFVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-15(2)12-5-9(3-4-13(12)17-14(15)18)11-8-19-7-10(11)6-16/h3-5,7-8H,6,16H2,1-2H3,(H,17,18).
What are the key properties of 5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one?
5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 272.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 96668624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).