[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium

C15H22ClN2O3S+ — CID 8598600

IUPAC[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N[C@]1(C)CCS(=O)(=O)C1)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3S/c1-11(12-5-3-4-6-13(12)16)17-9-14(19)18-15(2)7-8-22(20,21)10-15/h3-6,11,17H,7-10H2,1-2H3,(H,18,19)/p+1/t11-,15+/m0/s1
InChIKeyWYYOSKRXCHKPSW-XHDPSFHLSA-O
MW345.87 g/mol
LogP0.66
Rot. Bonds5

About [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium

[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium (PubChem CID 8598600) has the molecular formula C15H22ClN2O3S+ and a molecular weight of 345.87 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium
PubChem CID8598600
Molecular FormulaC15H22ClN2O3S+
Molecular Weight345.87 g/mol
Exact Mass345.10
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N[C@]1(C)CCS(=O)(=O)C1)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3S/c1-11(12-5-3-4-6-13(12)16)17-9-14(19)18-15(2)7-8-22(20,21)10-15/h3-6,11,17H,7-10H2,1-2H3,(H,18,19)/p+1/t11-,15+/m0/s1
InChIKeyWYYOSKRXCHKPSW-XHDPSFHLSA-O
XLogP0.66
TPSA79.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium
CID 9306217
2-(2-chlorophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 18157918
2-(benzhydrylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46603209
2-chloro-N-[(1R)-3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 95261853
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307053
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium
CID 8599022
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8598366
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9306150
2-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 2555248
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]azanium
CID 9306887

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium (CID 8598600) is [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)N[C@]1(C)CCS(=O)(=O)C1)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium?
The InChIKey is WYYOSKRXCHKPSW-XHDPSFHLSA-O. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11(12-5-3-4-6-13(12)16)17-9-14(19)18-15(2)7-8-22(20,21)10-15/h3-6,11,17H,7-10H2,1-2H3,(H,18,19)/p+1/t11-,15+/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium?
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium has a molecular weight of 345.87 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8598600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).