2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

C11H16N2O2S2 — CID 43598097

IUPAC2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)c1cccs1
InChIInChI=1S/C11H16N2O2S2/c1-8-5-9-6-12-7-10(9)13(8)17(14,15)11-3-2-4-16-11/h2-4,8-10,12H,5-7H2,1H3
InChIKeyQDORJYDRGLVNDG-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.12
Rot. Bonds2

About 2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 43598097) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID43598097
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)c1cccs1
InChIInChI=1S/C11H16N2O2S2/c1-8-5-9-6-12-7-10(9)13(8)17(14,15)11-3-2-4-16-11/h2-4,8-10,12H,5-7H2,1H3
InChIKeyQDORJYDRGLVNDG-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 43598097) is 2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is CC1CC2CNCC2N1S(=O)(=O)c1cccs1.
What is the InChIKey of 2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is QDORJYDRGLVNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-8-5-9-6-12-7-10(9)13(8)17(14,15)11-3-2-4-16-11/h2-4,8-10,12H,5-7H2,1H3.
What are the key properties of 2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 272.39 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 43598097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).