3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione

C15H20N2O2S — CID 64884033

IUPAC3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NC(C2CC2)C(=O)N1CCc1cccs1
InChIInChI=1S/C15H20N2O2S/c1-10-9-13(18)16-14(11-4-5-11)15(19)17(10)7-6-12-3-2-8-20-12/h2-3,8,10-11,14H,4-7,9H2,1H3,(H,16,18)
InChIKeyHWXXSSIZEAHIKK-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.81
Rot. Bonds4

About 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione

3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione (PubChem CID 64884033) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
PubChem CID64884033
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NC(C2CC2)C(=O)N1CCc1cccs1
InChIInChI=1S/C15H20N2O2S/c1-10-9-13(18)16-14(11-4-5-11)15(19)17(10)7-6-12-3-2-8-20-12/h2-3,8,10-11,14H,4-7,9H2,1H3,(H,16,18)
InChIKeyHWXXSSIZEAHIKK-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883454
3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64885638
3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64882835
7-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882972
3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885635
3-cyclopropyl-7-methyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 103142051
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883637
2-cyclopropyl-5-ethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64843303
3-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880154
4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 130948914
4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one
CID 13476319

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione (CID 64884033) is 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione is CC1CC(=O)NC(C2CC2)C(=O)N1CCc1cccs1.
What is the InChIKey of 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione?
The InChIKey is HWXXSSIZEAHIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-9-13(18)16-14(11-4-5-11)15(19)17(10)7-6-12-3-2-8-20-12/h2-3,8,10-11,14H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione?
3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64884033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).