1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane

C14H22N2S — CID 82297615

IUPAC1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane
SMILESC/C(=C\CCN1CCCNCC1)c1cccs1
InChIInChI=1S/C14H22N2S/c1-13(14-6-3-12-17-14)5-2-9-16-10-4-7-15-8-11-16/h3,5-6,12,15H,2,4,7-11H2,1H3/b13-5+
InChIKeyNQOJLCIFILTBJB-WLRTZDKTSA-N
MW250.41 g/mol
LogP2.84
Rot. Bonds4

About 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane

1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane (PubChem CID 82297615) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane
PubChem CID82297615
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane
SMILESC/C(=C\CCN1CCCNCC1)c1cccs1
InChIInChI=1S/C14H22N2S/c1-13(14-6-3-12-17-14)5-2-9-16-10-4-7-15-8-11-16/h3,5-6,12,15H,2,4,7-11H2,1H3/b13-5+
InChIKeyNQOJLCIFILTBJB-WLRTZDKTSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane 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-(1,4-diazepan-1-yl)-1-thiophen-2-ylethanone;hydrochloride
CID 71645016
3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole
CID 82305689
(E)-4-thiophen-2-ylpent-3-en-1-amine
CID 82074766
2-(1,4-diazepan-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62833124
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115171742
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
1-[(E)-4-(2-methoxyphenyl)but-3-enyl]-1,4-diazepane
CID 95466933
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1-piperazin-1-yl-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119400033
1-[(3E)-3-methylocta-3,7-dienyl]-1,4-diazepane
CID 129253878
2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 62832743

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane?
The IUPAC name of 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane (CID 82297615) is 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane.
What is the SMILES notation for 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane?
The canonical SMILES for 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane is C/C(=C\CCN1CCCNCC1)c1cccs1.
What is the InChIKey of 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane?
The InChIKey is NQOJLCIFILTBJB-WLRTZDKTSA-N. The full InChI is InChI=1S/C14H22N2S/c1-13(14-6-3-12-17-14)5-2-9-16-10-4-7-15-8-11-16/h3,5-6,12,15H,2,4,7-11H2,1H3/b13-5+.
What are the key properties of 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane?
1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane has a molecular weight of 250.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-thiophen-2-ylpent-3-enyl]-1,4-diazepane is sourced from PubChem (CID 82297615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).