N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide

C11H15NO3S2 — CID 2952541

IUPACN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO3S2/c1-11(5-7-17(14,15)8-11)12(2)10(13)9-4-3-6-16-9/h3-4,6H,5,7-8H2,1-2H3
InChIKeyPHHCUJPKGOSLCU-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.40
Rot. Bonds2

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

N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide (PubChem CID 2952541) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
PubChem CID2952541
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC NameN-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO3S2/c1-11(5-7-17(14,15)8-11)12(2)10(13)9-4-3-6-16-9/h3-4,6H,5,7-8H2,1-2H3
InChIKeyPHHCUJPKGOSLCU-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide (CID 2952541) is N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide is CN(C(=O)c1cccs1)C1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The InChIKey is PHHCUJPKGOSLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-11(5-7-17(14,15)8-11)12(2)10(13)9-4-3-6-16-9/h3-4,6H,5,7-8H2,1-2H3.
What are the key properties of N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2952541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).