(2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium

C14H19Cl2N2O3S+ — CID 9196799

IUPAC(2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3S/c1-18(7-10-2-3-11(15)6-13(10)16)8-14(19)17-12-4-5-22(20,21)9-12/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,19)/p+1/t12-/m0/s1
InChIKeyRQHSNJDZTBNUKK-LBPRGKRZSA-O
MW366.29 g/mol
LogP0.31
Rot. Bonds5

About (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium

(2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium (PubChem CID 9196799) has the molecular formula C14H19Cl2N2O3S+ and a molecular weight of 366.29 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium
PubChem CID9196799
Molecular FormulaC14H19Cl2N2O3S+
Molecular Weight366.29 g/mol
Exact Mass365.05
IUPAC Name(2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3S/c1-18(7-10-2-3-11(15)6-13(10)16)8-14(19)17-12-4-5-22(20,21)9-12/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,19)/p+1/t12-/m0/s1
InChIKeyRQHSNJDZTBNUKK-LBPRGKRZSA-O
XLogP0.31
TPSA67.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9196797
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium
CID 9222232
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2853637
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251696
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197489
2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7090741
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
(2S)-N-[2-(2,4-dichlorophenyl)ethyl]-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]propanamide
CID 45495952
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
1-[(4-chloro-2-methoxyphenyl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 95334613
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872890
2-(2-bromo-4-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3939341

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium (CID 9196799) is (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is RQHSNJDZTBNUKK-LBPRGKRZSA-O. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-18(7-10-2-3-11(15)6-13(10)16)8-14(19)17-12-4-5-22(20,21)9-12/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,19)/p+1/t12-/m0/s1.
What are the key properties of (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium?
(2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 366.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9196799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).