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

C10H20N2O2S — CID 43598099

IUPAC2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCCCS(=O)(=O)N1C(C)CC2CNCC21
InChIInChI=1S/C10H20N2O2S/c1-3-4-15(13,14)12-8(2)5-9-6-11-7-10(9)12/h8-11H,3-7H2,1-2H3
InChIKeyQWEGXIYCHBXRTR-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.41
Rot. Bonds3

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

2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 43598099) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID43598099
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCCCS(=O)(=O)N1C(C)CC2CNCC21
InChIInChI=1S/C10H20N2O2S/c1-3-4-15(13,14)12-8(2)5-9-6-11-7-10(9)12/h8-11H,3-7H2,1-2H3
InChIKeyQWEGXIYCHBXRTR-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 43598056
CID 43598056
CID 43598081
CID 43598081
CID 66210082
CID 66210082
CID 83057935
CID 83057935
CID 83058103
CID 83058103
CID 83058239
CID 83058239
CID 83058924
CID 83058924
CID 83059275
CID 83059275
CID 83068246
CID 83068246
CID 59888711
CID 59888711
CID 118931493
CID 118931493
CID 118931495
CID 118931495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 43598099) is 2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is CCCS(=O)(=O)N1C(C)CC2CNCC21.
What is the InChIKey of 2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is QWEGXIYCHBXRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-4-15(13,14)12-8(2)5-9-6-11-7-10(9)12/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 232.35 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 43598099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).