N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine

C13H21NOS — CID 65328877

IUPACN-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1CCCO1
InChIInChI=1S/C13H21NOS/c1-3-6-14-13(12-5-4-7-15-12)11-8-10(2)16-9-11/h8-9,12-14H,3-7H2,1-2H3
InChIKeyODFLFVLEZLTQBR-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.28
Rot. Bonds5

About N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine

N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine (PubChem CID 65328877) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
PubChem CID65328877
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1CCCO1
InChIInChI=1S/C13H21NOS/c1-3-6-14-13(12-5-4-7-15-12)11-8-10(2)16-9-11/h8-9,12-14H,3-7H2,1-2H3
InChIKeyODFLFVLEZLTQBR-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine 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

N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(4-ethylmorpholin-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 79669333
N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79663833
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107189268
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
CID 43495861
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65328590
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62213881

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine (CID 65328877) is N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine is CCCNC(c1csc(C)c1)C1CCCO1.
What is the InChIKey of N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine?
The InChIKey is ODFLFVLEZLTQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-6-14-13(12-5-4-7-15-12)11-8-10(2)16-9-11/h8-9,12-14H,3-7H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine?
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65328877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).