methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium

C15H18NO2S2+ — CID 2064474

IUPACmethyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium
SMILESC[NH+](CCC(=O)c1cccs1)CCC(=O)c1cccs1
InChIInChI=1S/C15H17NO2S2/c1-16(8-6-12(17)14-4-2-10-19-14)9-7-13(18)15-5-3-11-20-15/h2-5,10-11H,6-9H2,1H3/p+1
InChIKeyNJBMZVDZPDAZOZ-UHFFFAOYSA-O
MW308.45 g/mol
LogP2.17
Rot. Bonds8

About methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium

methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium (PubChem CID 2064474) has the molecular formula C15H18NO2S2+ and a molecular weight of 308.45 g/mol. Its IUPAC name is methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium.

Molecular Properties

Compound Namemethyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium
PubChem CID2064474
Molecular FormulaC15H18NO2S2+
Molecular Weight308.45 g/mol
Exact Mass308.08
IUPAC Namemethyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium
SMILESC[NH+](CCC(=O)c1cccs1)CCC(=O)c1cccs1
InChIInChI=1S/C15H17NO2S2/c1-16(8-6-12(17)14-4-2-10-19-14)9-7-13(18)15-5-3-11-20-15/h2-5,10-11H,6-9H2,1H3/p+1
InChIKeyNJBMZVDZPDAZOZ-UHFFFAOYSA-O
XLogP2.17
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-thiophen-2-ylpentane-1,4-dione
CID 2741853
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
1-thiophen-2-ylpropan-1-one
CID 26179
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
CID 116606438
6,6-dimethyl-1-thiophen-2-ylheptane-1,5-dione
CID 15128597
1-pyrimidin-5-yl-4-thiophen-2-ylbutane-1,4-dione
CID 90363831
dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
CID 5200476
4-methoxy-1-thiophen-2-ylpentan-1-one
CID 105081586
5-diazo-1-thiophen-2-ylpentane-1,4-dione
CID 71361109
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857

Frequently Asked Questions

What is the IUPAC name of methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium?
The IUPAC name of methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium (CID 2064474) is methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium.
What is the SMILES notation for methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium?
The canonical SMILES for methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium is C[NH+](CCC(=O)c1cccs1)CCC(=O)c1cccs1.
What is the InChIKey of methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium?
The InChIKey is NJBMZVDZPDAZOZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17NO2S2/c1-16(8-6-12(17)14-4-2-10-19-14)9-7-13(18)15-5-3-11-20-15/h2-5,10-11H,6-9H2,1H3/p+1.
What are the key properties of methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium?
methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium has a molecular weight of 308.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium is sourced from PubChem (CID 2064474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).