2-propyl-2-thiophen-2-ylazepane

C13H21NS — CID 79116814

IUPAC2-propyl-2-thiophen-2-ylazepane
SMILESCCCC1(c2cccs2)CCCCCN1
InChIInChI=1S/C13H21NS/c1-2-8-13(12-7-6-11-15-12)9-4-3-5-10-14-13/h6-7,11,14H,2-5,8-10H2,1H3
InChIKeyNPYATWQVBLVBPC-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.91
Rot. Bonds3

About 2-propyl-2-thiophen-2-ylazepane

2-propyl-2-thiophen-2-ylazepane (PubChem CID 79116814) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-propyl-2-thiophen-2-ylazepane.

Molecular Properties

Compound Name2-propyl-2-thiophen-2-ylazepane
PubChem CID79116814
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-propyl-2-thiophen-2-ylazepane
SMILESCCCC1(c2cccs2)CCCCCN1
InChIInChI=1S/C13H21NS/c1-2-8-13(12-7-6-11-15-12)9-4-3-5-10-14-13/h6-7,11,14H,2-5,8-10H2,1H3
InChIKeyNPYATWQVBLVBPC-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propyl-2-thiophen-2-ylazepane 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

2-ethyl-2-thiophen-2-ylpiperidine
CID 117271329
2-(5-methylthiophen-2-yl)-2-propylazepane
CID 79117017
2-phenyl-2-propylazepane
CID 79117631
2-propyl-2-thiophen-3-ylazepane
CID 79117212
2-methyl-2-thiophen-2-ylpiperidine
CID 83530082
2-(2,3-dimethylphenyl)-2-propylazepane
CID 79117434
2-propan-2-yl-2-thiophen-2-ylpiperidine
CID 117271337
3-(2-propylazepan-2-yl)pyridin-2-amine
CID 79117624
2-(3-bromophenyl)-2-propylpiperidine
CID 115058689
2-(3,4-difluorophenyl)-2-propylazepane
CID 79117432
2-(2,4-difluorophenyl)-2-propylazepane
CID 79118364
2-(2-ethylpyrazol-3-yl)-2-propylazepane
CID 79118018

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-thiophen-2-ylazepane?
The IUPAC name of 2-propyl-2-thiophen-2-ylazepane (CID 79116814) is 2-propyl-2-thiophen-2-ylazepane.
What is the SMILES notation for 2-propyl-2-thiophen-2-ylazepane?
The canonical SMILES for 2-propyl-2-thiophen-2-ylazepane is CCCC1(c2cccs2)CCCCCN1.
What is the InChIKey of 2-propyl-2-thiophen-2-ylazepane?
The InChIKey is NPYATWQVBLVBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-8-13(12-7-6-11-15-12)9-4-3-5-10-14-13/h6-7,11,14H,2-5,8-10H2,1H3.
What are the key properties of 2-propyl-2-thiophen-2-ylazepane?
2-propyl-2-thiophen-2-ylazepane has a molecular weight of 223.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-thiophen-2-ylazepane is sourced from PubChem (CID 79116814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).