methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium

C14H24N3O2S+ — CID 8913853

IUPACmethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CC(=O)NCCc1cccs1
InChIInChI=1S/C14H23N3O2S/c1-11(2)16-14(19)10-17(3)9-13(18)15-7-6-12-5-4-8-20-12/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,15,18)(H,16,19)/p+1
InChIKeyPNLYVZGZWLHYLB-UHFFFAOYSA-O
MW298.43 g/mol
LogP-0.55
Rot. Bonds8

About methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium (PubChem CID 8913853) has the molecular formula C14H24N3O2S+ and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium
PubChem CID8913853
Molecular FormulaC14H24N3O2S+
Molecular Weight298.43 g/mol
Exact Mass298.16
IUPAC Namemethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CC(=O)NCCc1cccs1
InChIInChI=1S/C14H23N3O2S/c1-11(2)16-14(19)10-17(3)9-13(18)15-7-6-12-5-4-8-20-12/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,15,18)(H,16,19)/p+1
InChIKeyPNLYVZGZWLHYLB-UHFFFAOYSA-O
XLogP-0.55
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium with MolForge

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Related Compounds

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8913554
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium
CID 9317969
3-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111348848
2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 55626387
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
3-[[N'-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 75423246
methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 2541465
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7735138
methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790275

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium?
The IUPAC name of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium (CID 8913853) is methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium is CC(C)NC(=O)C[NH+](C)CC(=O)NCCc1cccs1.
What is the InChIKey of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium?
The InChIKey is PNLYVZGZWLHYLB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O2S/c1-11(2)16-14(19)10-17(3)9-13(18)15-7-6-12-5-4-8-20-12/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,15,18)(H,16,19)/p+1.
What are the key properties of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium?
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium has a molecular weight of 298.43 g/mol, XLogP of -0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium is sourced from PubChem (CID 8913853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).