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

C12H17N3O2S — CID 43598080

IUPAC2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H17N3O2S/c1-9-5-10-6-14-8-12(10)15(9)18(16,17)11-3-2-4-13-7-11/h2-4,7,9-10,12,14H,5-6,8H2,1H3
InChIKeyMXLMDBLTWJMVCH-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.45
Rot. Bonds2

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

2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 43598080) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID43598080
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCC1CC2CNCC2N1S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H17N3O2S/c1-9-5-10-6-14-8-12(10)15(9)18(16,17)11-3-2-4-13-7-11/h2-4,7,9-10,12,14H,5-6,8H2,1H3
InChIKeyMXLMDBLTWJMVCH-UHFFFAOYSA-N
XLogP0.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 43598080) is 2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is CC1CC2CNCC2N1S(=O)(=O)c1cccnc1.
What is the InChIKey of 2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is MXLMDBLTWJMVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-5-10-6-14-8-12(10)15(9)18(16,17)11-3-2-4-13-7-11/h2-4,7,9-10,12,14H,5-6,8H2,1H3.
What are the key properties of 2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 267.35 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 43598080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).