3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide

C10H14Cl2N2O3S3 — CID 63285533

IUPAC3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H14Cl2N2O3S3/c1-17-5-4-14(3-2-9(13)18)20(15,16)7-6-8(11)19-10(7)12/h6H,2-5H2,1H3,(H2,13,18)
InChIKeyPYLBJIQNVXKBRM-UHFFFAOYSA-N
MW377.34 g/mol
LogP2.37
Rot. Bonds8

About 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide

3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide (PubChem CID 63285533) has the molecular formula C10H14Cl2N2O3S3 and a molecular weight of 377.34 g/mol. Its IUPAC name is 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide
PubChem CID63285533
Molecular FormulaC10H14Cl2N2O3S3
Molecular Weight377.34 g/mol
Exact Mass375.95
IUPAC Name3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide
SMILESCOCCN(CCC(N)=S)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H14Cl2N2O3S3/c1-17-5-4-14(3-2-9(13)18)20(15,16)7-6-8(11)19-10(7)12/h6H,2-5H2,1H3,(H2,13,18)
InChIKeyPYLBJIQNVXKBRM-UHFFFAOYSA-N
XLogP2.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide?
The IUPAC name of 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide (CID 63285533) is 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide.
What is the SMILES notation for 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide?
The canonical SMILES for 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide is COCCN(CCC(N)=S)S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide?
The InChIKey is PYLBJIQNVXKBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3S3/c1-17-5-4-14(3-2-9(13)18)20(15,16)7-6-8(11)19-10(7)12/h6H,2-5H2,1H3,(H2,13,18).
What are the key properties of 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide?
3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide has a molecular weight of 377.34 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanethioamide is sourced from PubChem (CID 63285533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).