2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol

C12H21NOS — CID 42837584

IUPAC2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCCCN(Cc1cccs1)CC(C)(C)O
InChIInChI=1S/C12H21NOS/c1-4-7-13(10-12(2,3)14)9-11-6-5-8-15-11/h5-6,8,14H,4,7,9-10H2,1-3H3
InChIKeyXPUQUENCEXMAPU-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol

2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 42837584) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID42837584
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCCCN(Cc1cccs1)CC(C)(C)O
InChIInChI=1S/C12H21NOS/c1-4-7-13(10-12(2,3)14)9-11-6-5-8-15-11/h5-6,8,14H,4,7,9-10H2,1-3H3
InChIKeyXPUQUENCEXMAPU-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol 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 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 42837584) is 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol is CCCN(Cc1cccs1)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is XPUQUENCEXMAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-7-13(10-12(2,3)14)9-11-6-5-8-15-11/h5-6,8,14H,4,7,9-10H2,1-3H3.
What are the key properties of 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 227.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 42837584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).