N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide

C12H14N2O3S2 — CID 42941910

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCN(C(=O)c1cc2ccsc2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H14N2O3S2/c1-14(9-3-5-19(16,17)7-9)12(15)10-6-8-2-4-18-11(8)13-10/h2,4,6,9,13H,3,5,7H2,1H3
InChIKeyIVMPABRWUAVWDI-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.49
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 42941910) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID42941910
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCN(C(=O)c1cc2ccsc2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H14N2O3S2/c1-14(9-3-5-19(16,17)7-9)12(15)10-6-8-2-4-18-11(8)13-10/h2,4,6,9,13H,3,5,7H2,1H3
InChIKeyIVMPABRWUAVWDI-UHFFFAOYSA-N
XLogP1.49
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 42941910) is N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide is CN(C(=O)c1cc2ccsc2[nH]1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is IVMPABRWUAVWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-14(9-3-5-19(16,17)7-9)12(15)10-6-8-2-4-18-11(8)13-10/h2,4,6,9,13H,3,5,7H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42941910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).