1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine

C12H19NOS — CID 63774614

IUPAC1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine
SMILESNC(CCc1cccs1)CC1CCCO1
InChIInChI=1S/C12H19NOS/c13-10(9-11-3-1-7-14-11)5-6-12-4-2-8-15-12/h2,4,8,10-11H,1,3,5-7,9,13H2
InChIKeyBJYVDPGWOVLENY-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.58
Rot. Bonds5

About 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine

1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine (PubChem CID 63774614) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine
PubChem CID63774614
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine
SMILESNC(CCc1cccs1)CC1CCCO1
InChIInChI=1S/C12H19NOS/c13-10(9-11-3-1-7-14-11)5-6-12-4-2-8-15-12/h2,4,8,10-11H,1,3,5-7,9,13H2
InChIKeyBJYVDPGWOVLENY-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-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

[1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-yl]hydrazine
CID 105198543
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 113391592
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium
CID 7129182
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 62601063
5-methyl-1-(oxolan-2-yl)hexan-2-amine
CID 62599893
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine (CID 63774614) is 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine is NC(CCc1cccs1)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine?
The InChIKey is BJYVDPGWOVLENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c13-10(9-11-3-1-7-14-11)5-6-12-4-2-8-15-12/h2,4,8,10-11H,1,3,5-7,9,13H2.
What are the key properties of 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine?
1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 63774614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).