N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide

C10H13NOS3 — CID 102460578

IUPACN-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide
SMILESCCSC(=NC(=O)c1cccs1)SCC
InChIInChI=1S/C10H13NOS3/c1-3-13-10(14-4-2)11-9(12)8-6-5-7-15-8/h5-7H,3-4H2,1-2H3
InChIKeyLPOPQHJAAFZLRP-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.75
Rot. Bonds3

About N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide

N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide (PubChem CID 102460578) has the molecular formula C10H13NOS3 and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide
PubChem CID102460578
Molecular FormulaC10H13NOS3
Molecular Weight259.42 g/mol
Exact Mass259.02
IUPAC NameN-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide
SMILESCCSC(=NC(=O)c1cccs1)SCC
InChIInChI=1S/C10H13NOS3/c1-3-13-10(14-4-2)11-9(12)8-6-5-7-15-8/h5-7H,3-4H2,1-2H3
InChIKeyLPOPQHJAAFZLRP-UHFFFAOYSA-N
XLogP3.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-Thiophenecarboxamide
CID 22063
2-(allylsulfanyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 1803359
2-Thiophenecarboxamide, N,N-dimethyl-
CID 141583
5-(Methylsulfanyl)thiophene-2-carboxamide
CID 2740419
Thiophene-2-carboxamide, N-ethyl-N-butyl-
CID 2164665
2-Thiophenecarbonylazide
CID 4191066
N,N-diethylthiophene-2-carboxamide
CID 962897
2-Thiophenecarbonyl isocyanate
CID 12608539
5-Methyl-2-methylthiothiophene-3-carboxamide
CID 678409
5-Ethyl-2-(ethylsulfanyl)thiophene-3-carboxamide
CID 689992
3-Ethylthiophene-2-carboxamide
CID 18938160
Thiophene-2-carboxamide, N,N-dibutyl-
CID 532898

Frequently Asked Questions

What is the IUPAC name of N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide?
The IUPAC name of N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide (CID 102460578) is N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide.
What is the SMILES notation for N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide?
The canonical SMILES for N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide is CCSC(=NC(=O)c1cccs1)SCC.
What is the InChIKey of N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide?
The InChIKey is LPOPQHJAAFZLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS3/c1-3-13-10(14-4-2)11-9(12)8-6-5-7-15-8/h5-7H,3-4H2,1-2H3.
What are the key properties of N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide?
N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide has a molecular weight of 259.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(ethylsulfanyl)methylidene]thiophene-2-carboxamide is sourced from PubChem (CID 102460578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).