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

C11H15NO3S2 — CID 6599870

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)[C@H]1CCS(=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/t9-/m0/s1
InChIKeySELSQCWJRJUADA-VIFPVBQESA-N
MW273.38 g/mol
LogP1.32
Rot. Bonds2

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

N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide (PubChem CID 6599870) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide
PubChem CID6599870
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)[C@H]1CCS(=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/t9-/m0/s1
InChIKeySELSQCWJRJUADA-VIFPVBQESA-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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Related Compounds

1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide
CID 79120887
N,3-dimethyl-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110528
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 42941910
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
2-(1,1-dioxothiolan-3-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 105115818
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
5-bromo-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylbenzamide
CID 65307183
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 7379212
N,3-dimethyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 66570141

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide (CID 6599870) is N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is SELSQCWJRJUADA-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide?
N-[(3S)-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-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 6599870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).