(5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium

C15H14ClN2O2S+ — CID 9171711

IUPAC(5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
SMILESC[NH+](Cc1ccc(Cl)s1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H13ClN2O2S/c1-17(8-10-6-7-13(16)21-10)9-18-14(19)11-4-2-3-5-12(11)15(18)20/h2-7H,8-9H2,1H3/p+1
InChIKeyDZCFRVGPAGLTLE-UHFFFAOYSA-O
MW321.81 g/mol
LogP1.67
Rot. Bonds4

About (5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium

(5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium (PubChem CID 9171711) has the molecular formula C15H14ClN2O2S+ and a molecular weight of 321.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
PubChem CID9171711
Molecular FormulaC15H14ClN2O2S+
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name(5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
SMILESC[NH+](Cc1ccc(Cl)s1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H13ClN2O2S/c1-17(8-10-6-7-13(16)21-10)9-18-14(19)11-4-2-3-5-12(11)15(18)20/h2-7H,8-9H2,1H3/p+1
InChIKeyDZCFRVGPAGLTLE-UHFFFAOYSA-O
XLogP1.67
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]isoindole-1,3-dione
CID 8787066
(5-chlorothiophen-2-yl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
CID 9171796
benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium
CID 7911038
2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 31011197
2-[(5-chlorothiophen-2-yl)methoxy]isoindole-1,3-dione
CID 67270650
(2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
CID 9279981
4-amino-2-[(5-chlorothiophen-2-yl)methyl]isoindole-1,3-dione
CID 18072803
benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium
CID 9169350
(5-chlorothiophen-2-yl)methyl-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium
CID 9236777
2-(2,3,3-trimethylbutyl)isoindole-1,3-dione
CID 176792858
1-[(5-chlorothiophen-2-yl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
CID 51932759
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium (CID 9171711) is (5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium is C[NH+](Cc1ccc(Cl)s1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
The InChIKey is DZCFRVGPAGLTLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13ClN2O2S/c1-17(8-10-6-7-13(16)21-10)9-18-14(19)11-4-2-3-5-12(11)15(18)20/h2-7H,8-9H2,1H3/p+1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
(5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium has a molecular weight of 321.81 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium is sourced from PubChem (CID 9171711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).