4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine

C11H12ClN3O2S — CID 135760770

IUPAC4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine
SMILESO=S1(=O)N/C(=N\C2CC2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C11H12ClN3O2S/c12-8-3-1-7(2-4-8)10-11(13-9-5-6-9)15-18(16,17)14-10/h1-4,9-10,14H,5-6H2,(H,13,15)
InChIKeyLWXJLRVWPZJFAG-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.38
Rot. Bonds2

About 4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine

4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine (PubChem CID 135760770) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine
PubChem CID135760770
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine
SMILESO=S1(=O)N/C(=N\C2CC2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C11H12ClN3O2S/c12-8-3-1-7(2-4-8)10-11(13-9-5-6-9)15-18(16,17)14-10/h1-4,9-10,14H,5-6H2,(H,13,15)
InChIKeyLWXJLRVWPZJFAG-UHFFFAOYSA-N
XLogP1.38
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine
CID 135573667
4-(4-chlorophenyl)-2,2-dioxo-1,3,4,6,7,8-hexahydro-2λ6,1,3-benzothiadiazin-5-one
CID 155294730
(4S)-4-(4-chlorophenyl)oxathiazinane 2,2-dioxide
CID 176577581
(5R)-5-(4-chlorophenyl)-3-hydroxyimidazolidine-2,4-dione
CID 125493950
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
(4S)-4-(4-chlorophenyl)azetidine-2-thione
CID 102306093
5-(4-chlorophenyl)thiomorpholin-3-one
CID 105485089
7-chloro-N-cyclohexyl-4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-imine
CID 140995467
3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide
CID 66229594
5,6-bis(4-chlorophenyl)piperazin-2-one
CID 78034573
(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 2097974
(1R)-1-(4-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 737007

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine?
The IUPAC name of 4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine (CID 135760770) is 4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine?
The canonical SMILES for 4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine is O=S1(=O)N/C(=N\C2CC2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine?
The InChIKey is LWXJLRVWPZJFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c12-8-3-1-7(2-4-8)10-11(13-9-5-6-9)15-18(16,17)14-10/h1-4,9-10,14H,5-6H2,(H,13,15).
What are the key properties of 4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine?
4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine has a molecular weight of 285.76 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-3-imine is sourced from PubChem (CID 135760770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).