methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium

C14H24N3O2S+ — CID 8913554

IUPACmethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CC(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C14H23N3O2S/c1-10(2)15-13(18)8-17(4)9-14(19)16-11(3)12-6-5-7-20-12/h5-7,10-11H,8-9H2,1-4H3,(H,15,18)(H,16,19)/p+1/t11-/m0/s1
InChIKeyUGLOTQZBXKQXHK-NSHDSACASA-O
MW298.43 g/mol
LogP-0.04
Rot. Bonds7

About methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium (PubChem CID 8913554) 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-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
PubChem CID8913554
Molecular FormulaC14H24N3O2S+
Molecular Weight298.43 g/mol
Exact Mass298.16
IUPAC Namemethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CC(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C14H23N3O2S/c1-10(2)15-13(18)8-17(4)9-14(19)16-11(3)12-6-5-7-20-12/h5-7,10-11H,8-9H2,1-4H3,(H,15,18)(H,16,19)/p+1/t11-/m0/s1
InChIKeyUGLOTQZBXKQXHK-NSHDSACASA-O
XLogP-0.04
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium with MolForge

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Related Compounds

[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 9198127
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium
CID 8913853
N-propan-2-yl-3-thiophen-2-ylbutanamide
CID 175911006
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 81317529
2-(1-aminocyclohexyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 64684580
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 2541465
[2-(benzhydrylamino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9048967

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium?
The IUPAC name of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium (CID 8913554) is methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium is CC(C)NC(=O)C[NH+](C)CC(=O)N[C@@H](C)c1cccs1.
What is the InChIKey of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium?
The InChIKey is UGLOTQZBXKQXHK-NSHDSACASA-O. The full InChI is InChI=1S/C14H23N3O2S/c1-10(2)15-13(18)8-17(4)9-14(19)16-11(3)12-6-5-7-20-12/h5-7,10-11H,8-9H2,1-4H3,(H,15,18)(H,16,19)/p+1/t11-/m0/s1.
What are the key properties of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium?
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium has a molecular weight of 298.43 g/mol, XLogP of -0.04, 7 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-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium is sourced from PubChem (CID 8913554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).