methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C14H24N3O2S+ — CID 8913745

IUPACmethyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C14H23N3O2S/c1-11(2)15-13(18)8-16(3)9-14(19)17(4)7-12-5-6-20-10-12/h5-6,10-11H,7-9H2,1-4H3,(H,15,18)/p+1
InChIKeyKDEIVTMROXWVCC-UHFFFAOYSA-O
MW298.43 g/mol
LogP-0.25
Rot. Bonds7

About methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8913745) has the molecular formula C14H24N3O2S+ and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8913745
Molecular FormulaC14H24N3O2S+
Molecular Weight298.43 g/mol
Exact Mass298.16
IUPAC Namemethyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C14H23N3O2S/c1-11(2)15-13(18)8-16(3)9-14(19)17(4)7-12-5-6-20-10-12/h5-6,10-11H,7-9H2,1-4H3,(H,15,18)/p+1
InChIKeyKDEIVTMROXWVCC-UHFFFAOYSA-O
XLogP-0.25
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
CID 8552998
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
CID 9125100
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466825
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197737
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide
CID 115655788
[2-(benzhydrylamino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9048967
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8913745) is methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC(C)NC(=O)C[NH+](C)CC(=O)N(C)Cc1ccsc1.
What is the InChIKey of methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is KDEIVTMROXWVCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O2S/c1-11(2)15-13(18)8-16(3)9-14(19)17(4)7-12-5-6-20-10-12/h5-6,10-11H,7-9H2,1-4H3,(H,15,18)/p+1.
What are the key properties of methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 298.43 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8913745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).