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

C11H23N3O2S — CID 66208228

IUPACN,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC2CNCC2C1C
InChIInChI=1S/C11H23N3O2S/c1-4-13(5-2)17(15,16)14-8-10-6-12-7-11(10)9(14)3/h9-12H,4-8H2,1-3H3
InChIKeyUYDRJGBNIJXWRT-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.11
Rot. Bonds4

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

N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide (PubChem CID 66208228) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide
PubChem CID66208228
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC2CNCC2C1C
InChIInChI=1S/C11H23N3O2S/c1-4-13(5-2)17(15,16)14-8-10-6-12-7-11(10)9(14)3/h9-12H,4-8H2,1-3H3
InChIKeyUYDRJGBNIJXWRT-UHFFFAOYSA-N
XLogP0.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide?
The IUPAC name of N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide (CID 66208228) is N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide is CCN(CC)S(=O)(=O)N1CC2CNCC2C1C.
What is the InChIKey of N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide?
The InChIKey is UYDRJGBNIJXWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-4-13(5-2)17(15,16)14-8-10-6-12-7-11(10)9(14)3/h9-12H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide?
N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-sulfonamide is sourced from PubChem (CID 66208228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).