3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione

C15H20N2O2S — CID 64883838

IUPAC3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCCc1ccc(CN2CCC(=O)NC(C3CC3)C2=O)s1
InChIInChI=1S/C15H20N2O2S/c1-2-11-5-6-12(20-11)9-17-8-7-13(18)16-14(15(17)19)10-3-4-10/h5-6,10,14H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyIHUPAIMJSWPBCA-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.94
Rot. Bonds4

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

3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 64883838) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione
PubChem CID64883838
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione
SMILESCCc1ccc(CN2CCC(=O)NC(C3CC3)C2=O)s1
InChIInChI=1S/C15H20N2O2S/c1-2-11-5-6-12(20-11)9-17-8-7-13(18)16-14(15(17)19)10-3-4-10/h5-6,10,14H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyIHUPAIMJSWPBCA-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-[(2-ethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64973634
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64882286
1-[(2-chloro-4-methylphenyl)methyl]-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 106870478
3-cyclopropyl-1-(pyridazin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 106897973
10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882245
3-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 64884429
3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
CID 64963843
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879023
3-cyclopropyl-1-(3-methylsulfanylpropyl)-1,4-diazepane-2,5-dione
CID 64972038
3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
CID 64973621
3-cyclopropyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane-2,5-dione
CID 64971130

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione (CID 64883838) is 3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione is CCc1ccc(CN2CCC(=O)NC(C3CC3)C2=O)s1.
What is the InChIKey of 3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is IHUPAIMJSWPBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-11-5-6-12(20-11)9-17-8-7-13(18)16-14(15(17)19)10-3-4-10/h5-6,10,14H,2-4,7-9H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione?
3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64883838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).