3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione

C15H20N2O2S — CID 64965112

IUPAC3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione
SMILESCc1ccc(C(C)N2CCC(=O)NC(C3CC3)C2=O)s1
InChIInChI=1S/C15H20N2O2S/c1-9-3-6-12(20-9)10(2)17-8-7-13(18)16-14(15(17)19)11-4-5-11/h3,6,10-11,14H,4-5,7-8H2,1-2H3,(H,16,18)
InChIKeyZWORFEYMNGIPBM-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.24
Rot. Bonds3

About 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione

3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione (PubChem CID 64965112) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione
PubChem CID64965112
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione
SMILESCc1ccc(C(C)N2CCC(=O)NC(C3CC3)C2=O)s1
InChIInChI=1S/C15H20N2O2S/c1-9-3-6-12(20-9)10(2)17-8-7-13(18)16-14(15(17)19)11-4-5-11/h3,6,10-11,14H,4-5,7-8H2,1-2H3,(H,16,18)
InChIKeyZWORFEYMNGIPBM-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione (CID 64965112) is 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione is Cc1ccc(C(C)N2CCC(=O)NC(C3CC3)C2=O)s1.
What is the InChIKey of 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione?
The InChIKey is ZWORFEYMNGIPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9-3-6-12(20-9)10(2)17-8-7-13(18)16-14(15(17)19)11-4-5-11/h3,6,10-11,14H,4-5,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione?
3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64965112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).