dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium

C15H26N3OS+ — CID 53350242

IUPACdimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
SMILESC[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C15H25N3OS/c1-15(2,17(3)4)11-16-14(19)18-9-5-7-12(18)13-8-6-10-20-13/h6,8,10,12H,5,7,9,11H2,1-4H3,(H,16,19)/p+1/t12-/m1/s1
InChIKeyIMCUZGWEWOOBNS-GFCCVEGCSA-O
MW296.46 g/mol
LogP1.52
Rot. Bonds4

About dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium

dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium (PubChem CID 53350242) has the molecular formula C15H26N3OS+ and a molecular weight of 296.46 g/mol. Its IUPAC name is dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium.

Molecular Properties

Compound Namedimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
PubChem CID53350242
Molecular FormulaC15H26N3OS+
Molecular Weight296.46 g/mol
Exact Mass296.18
IUPAC Namedimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
SMILESC[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C15H25N3OS/c1-15(2,17(3)4)11-16-14(19)18-9-5-7-12(18)13-8-6-10-20-13/h6,8,10,12H,5,7,9,11H2,1-4H3,(H,16,19)/p+1/t12-/m1/s1
InChIKeyIMCUZGWEWOOBNS-GFCCVEGCSA-O
XLogP1.52
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium?
The IUPAC name of dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium (CID 53350242) is dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium.
What is the SMILES notation for dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium?
The canonical SMILES for dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium is C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium?
The InChIKey is IMCUZGWEWOOBNS-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H25N3OS/c1-15(2,17(3)4)11-16-14(19)18-9-5-7-12(18)13-8-6-10-20-13/h6,8,10,12H,5,7,9,11H2,1-4H3,(H,16,19)/p+1/t12-/m1/s1.
What are the key properties of dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium?
dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium has a molecular weight of 296.46 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium is sourced from PubChem (CID 53350242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).