N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide

C9H16N2O3S — CID 146149225

IUPACN,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide
SMILESCNC(=O)C1CC2(C)CCCN2S1(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-9-4-3-5-11(9)15(13,14)7(6-9)8(12)10-2/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyXOZZGTFXHBEQIB-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.31
Rot. Bonds1

About N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide

N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide (PubChem CID 146149225) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide.

Molecular Properties

Compound NameN,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide
PubChem CID146149225
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide
SMILESCNC(=O)C1CC2(C)CCCN2S1(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-9-4-3-5-11(9)15(13,14)7(6-9)8(12)10-2/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyXOZZGTFXHBEQIB-UHFFFAOYSA-N
XLogP-0.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide?
The IUPAC name of N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide (CID 146149225) is N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide.
What is the SMILES notation for N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide?
The canonical SMILES for N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide is CNC(=O)C1CC2(C)CCCN2S1(=O)=O.
What is the InChIKey of N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide?
The InChIKey is XOZZGTFXHBEQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-9-4-3-5-11(9)15(13,14)7(6-9)8(12)10-2/h7H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide?
N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide has a molecular weight of 232.30 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3a-dimethyl-1,1-dioxo-3,4,5,6-tetrahydro-2H-pyrrolo[1,2-b][1,2]thiazole-2-carboxamide is sourced from PubChem (CID 146149225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).