2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide

C10H21N3O2S — CID 114385495

IUPAC2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide
SMILESCCC1C2CNCC2CN1CCS(N)(=O)=O
InChIInChI=1S/C10H21N3O2S/c1-2-10-9-6-12-5-8(9)7-13(10)3-4-16(11,14)15/h8-10,12H,2-7H2,1H3,(H2,11,14,15)
InChIKeyGVNXAJSMUBHWBR-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.80
Rot. Bonds4

About 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide

2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide (PubChem CID 114385495) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide
PubChem CID114385495
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide
SMILESCCC1C2CNCC2CN1CCS(N)(=O)=O
InChIInChI=1S/C10H21N3O2S/c1-2-10-9-6-12-5-8(9)7-13(10)3-4-16(11,14)15/h8-10,12H,2-7H2,1H3,(H2,11,14,15)
InChIKeyGVNXAJSMUBHWBR-UHFFFAOYSA-N
XLogP-0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide?
The IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide (CID 114385495) is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide is CCC1C2CNCC2CN1CCS(N)(=O)=O.
What is the InChIKey of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide?
The InChIKey is GVNXAJSMUBHWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-2-10-9-6-12-5-8(9)7-13(10)3-4-16(11,14)15/h8-10,12H,2-7H2,1H3,(H2,11,14,15).
What are the key properties of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide?
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide has a molecular weight of 247.36 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide is sourced from PubChem (CID 114385495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).