N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide

C10H15NO2S3 — CID 25215475

IUPACN,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide
SMILESCCN(CC)C(=S)CS(=O)(=O)c1cccs1
InChIInChI=1S/C10H15NO2S3/c1-3-11(4-2)9(14)8-16(12,13)10-6-5-7-15-10/h5-7H,3-4,8H2,1-2H3
InChIKeyBIWRLXQGQLHTKF-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.19
Rot. Bonds5

About N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide

N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide (PubChem CID 25215475) has the molecular formula C10H15NO2S3 and a molecular weight of 277.44 g/mol. Its IUPAC name is N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide.

Molecular Properties

Compound NameN,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide
PubChem CID25215475
Molecular FormulaC10H15NO2S3
Molecular Weight277.44 g/mol
Exact Mass277.03
IUPAC NameN,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide
SMILESCCN(CC)C(=S)CS(=O)(=O)c1cccs1
InChIInChI=1S/C10H15NO2S3/c1-3-11(4-2)9(14)8-16(12,13)10-6-5-7-15-10/h5-7H,3-4,8H2,1-2H3
InChIKeyBIWRLXQGQLHTKF-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide?
The IUPAC name of N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide (CID 25215475) is N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide.
What is the SMILES notation for N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide?
The canonical SMILES for N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide is CCN(CC)C(=S)CS(=O)(=O)c1cccs1.
What is the InChIKey of N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide?
The InChIKey is BIWRLXQGQLHTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S3/c1-3-11(4-2)9(14)8-16(12,13)10-6-5-7-15-10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide?
N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide has a molecular weight of 277.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-thiophen-2-ylsulfonylethanethioamide is sourced from PubChem (CID 25215475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).