[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

C15H24N3OS+ — CID 8718399

IUPAC[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccs1
InChIInChI=1S/C15H23N3OS/c1-5-18(9-13-7-6-8-20-13)10-14(19)17-15(4,11-16)12(2)3/h6-8,12H,5,9-10H2,1-4H3,(H,17,19)/p+1/t15-/m1/s1
InChIKeyJEWKYXTZBIRWLX-OAHLLOKOSA-O
MW294.44 g/mol
LogP1.21
Rot. Bonds7

About [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8718399) has the molecular formula C15H24N3OS+ and a molecular weight of 294.44 g/mol. Its IUPAC name is [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
PubChem CID8718399
Molecular FormulaC15H24N3OS+
Molecular Weight294.44 g/mol
Exact Mass294.16
IUPAC Name[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccs1
InChIInChI=1S/C15H23N3OS/c1-5-18(9-13-7-6-8-20-13)10-14(19)17-15(4,11-16)12(2)3/h6-8,12H,5,9-10H2,1-4H3,(H,17,19)/p+1/t15-/m1/s1
InChIKeyJEWKYXTZBIRWLX-OAHLLOKOSA-O
XLogP1.21
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium with MolForge

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 78752041
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718256
N-(2-cyano-3-methylbutan-2-yl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 51199992
[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717939
ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8718122
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718095
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
N-(2-cyano-3-methylbutan-2-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244520
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769233
N-(2-cyano-3-methylbutan-2-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4039778
ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718287
[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717971

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (CID 8718399) is [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccs1.
What is the InChIKey of [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is JEWKYXTZBIRWLX-OAHLLOKOSA-O. The full InChI is InChI=1S/C15H23N3OS/c1-5-18(9-13-7-6-8-20-13)10-14(19)17-15(4,11-16)12(2)3/h6-8,12H,5,9-10H2,1-4H3,(H,17,19)/p+1/t15-/m1/s1.
What are the key properties of [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 294.44 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8718399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).