4-(2-thiophen-2-ylethyl)oxepan-4-amine

C12H19NOS — CID 65076896

IUPAC4-(2-thiophen-2-ylethyl)oxepan-4-amine
SMILESNC1(CCc2cccs2)CCCOCC1
InChIInChI=1S/C12H19NOS/c13-12(5-2-8-14-9-7-12)6-4-11-3-1-10-15-11/h1,3,10H,2,4-9,13H2
InChIKeyDYBKLWWSTLQXDW-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.58
Rot. Bonds3

About 4-(2-thiophen-2-ylethyl)oxepan-4-amine

4-(2-thiophen-2-ylethyl)oxepan-4-amine (PubChem CID 65076896) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylethyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(2-thiophen-2-ylethyl)oxepan-4-amine
PubChem CID65076896
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-(2-thiophen-2-ylethyl)oxepan-4-amine
SMILESNC1(CCc2cccs2)CCCOCC1
InChIInChI=1S/C12H19NOS/c13-12(5-2-8-14-9-7-12)6-4-11-3-1-10-15-11/h1,3,10H,2,4-9,13H2
InChIKeyDYBKLWWSTLQXDW-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 4-(2-thiophen-2-ylethyl)oxepan-4-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-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
1-(3-thiophen-2-ylpropyl)cyclopropan-1-amine
CID 83906553
1-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64679712
1-[2-[methyl(2-thiophen-2-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 79487873
1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756341
1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]cyclohexan-1-amine
CID 64677713
4-propyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 63774785
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677499
3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
CID 63774395
3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
CID 66048547
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113280867

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-ylethyl)oxepan-4-amine?
The IUPAC name of 4-(2-thiophen-2-ylethyl)oxepan-4-amine (CID 65076896) is 4-(2-thiophen-2-ylethyl)oxepan-4-amine.
What is the SMILES notation for 4-(2-thiophen-2-ylethyl)oxepan-4-amine?
The canonical SMILES for 4-(2-thiophen-2-ylethyl)oxepan-4-amine is NC1(CCc2cccs2)CCCOCC1.
What is the InChIKey of 4-(2-thiophen-2-ylethyl)oxepan-4-amine?
The InChIKey is DYBKLWWSTLQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c13-12(5-2-8-14-9-7-12)6-4-11-3-1-10-15-11/h1,3,10H,2,4-9,13H2.
What are the key properties of 4-(2-thiophen-2-ylethyl)oxepan-4-amine?
4-(2-thiophen-2-ylethyl)oxepan-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylethyl)oxepan-4-amine is sourced from PubChem (CID 65076896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).