methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate

C10H12Cl2N2O3S3 — CID 134095325

IUPACmethyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate
SMILESCS/C(=N\S(=O)(=O)c1cc(Cl)sc1Cl)N1CCOCC1
InChIInChI=1S/C10H12Cl2N2O3S3/c1-18-10(14-2-4-17-5-3-14)13-20(15,16)7-6-8(11)19-9(7)12/h6H,2-5H2,1H3/b13-10-
InChIKeySNZKVUTWADPJFQ-RAXLEYEMSA-N
MW375.32 g/mol
LogP2.79
Rot. Bonds2

About methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate

methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate (PubChem CID 134095325) has the molecular formula C10H12Cl2N2O3S3 and a molecular weight of 375.32 g/mol. Its IUPAC name is methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate.

Molecular Properties

Compound Namemethyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate
PubChem CID134095325
Molecular FormulaC10H12Cl2N2O3S3
Molecular Weight375.32 g/mol
Exact Mass373.94
IUPAC Namemethyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate
SMILESCS/C(=N\S(=O)(=O)c1cc(Cl)sc1Cl)N1CCOCC1
InChIInChI=1S/C10H12Cl2N2O3S3/c1-18-10(14-2-4-17-5-3-14)13-20(15,16)7-6-8(11)19-9(7)12/h6H,2-5H2,1H3/b13-10-
InChIKeySNZKVUTWADPJFQ-RAXLEYEMSA-N
XLogP2.79
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55508764
2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride
CID 174560905
N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 86781929
methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate
CID 115672109
(2-morpholin-4-ylphenyl) 2,5-dichlorothiophene-3-sulfonate
CID 2813106
1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805365
N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide
CID 136530582
methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate
CID 88729252
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
CID 43344137
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 103775397

Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate?
The IUPAC name of methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate (CID 134095325) is methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate.
What is the SMILES notation for methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate?
The canonical SMILES for methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate is CS/C(=N\S(=O)(=O)c1cc(Cl)sc1Cl)N1CCOCC1.
What is the InChIKey of methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate?
The InChIKey is SNZKVUTWADPJFQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S3/c1-18-10(14-2-4-17-5-3-14)13-20(15,16)7-6-8(11)19-9(7)12/h6H,2-5H2,1H3/b13-10-.
What are the key properties of methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate?
methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate has a molecular weight of 375.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate is sourced from PubChem (CID 134095325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).