N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide

C11H15NO3S2 — CID 4964210

IUPACN-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO3S2/c1-8-3-5-16-10(8)11(13)12(2)9-4-6-17(14,15)7-9/h3,5,9H,4,6-7H2,1-2H3
InChIKeySELSQCWJRJUADA-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.32
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide (PubChem CID 4964210) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide
PubChem CID4964210
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO3S2/c1-8-3-5-16-10(8)11(13)12(2)9-4-6-17(14,15)7-9/h3,5,9H,4,6-7H2,1-2H3
InChIKeySELSQCWJRJUADA-UHFFFAOYSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide (CID 4964210) is N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is SELSQCWJRJUADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-8-3-5-16-10(8)11(13)12(2)9-4-6-17(14,15)7-9/h3,5,9H,4,6-7H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 4964210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).