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

C11H15NO3S3 — CID 56782768

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO3S3/c1-11(4-6-18(14,15)7-11)12-10(13)9-8(16-2)3-5-17-9/h3,5H,4,6-7H2,1-2H3,(H,12,13)
InChIKeyCDUYXJNUBBXXML-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.78
Rot. Bonds3

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

N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 56782768) has the molecular formula C11H15NO3S3 and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide
PubChem CID56782768
Molecular FormulaC11H15NO3S3
Molecular Weight305.45 g/mol
Exact Mass305.02
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO3S3/c1-11(4-6-18(14,15)7-11)12-10(13)9-8(16-2)3-5-17-9/h3,5H,4,6-7H2,1-2H3,(H,12,13)
InChIKeyCDUYXJNUBBXXML-UHFFFAOYSA-N
XLogP1.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide (CID 56782768) is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is CDUYXJNUBBXXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S3/c1-11(4-6-18(14,15)7-11)12-10(13)9-8(16-2)3-5-17-9/h3,5H,4,6-7H2,1-2H3,(H,12,13).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 56782768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).