N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide

C12H25N3O2S — CID 66244821

IUPACN,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC2CNCC2C1(C)C
InChIInChI=1S/C12H25N3O2S/c1-5-14(6-2)18(16,17)15-9-10-7-13-8-11(10)12(15,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyMLGQXJABXFULRS-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.50
Rot. Bonds4

About N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide

N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide (PubChem CID 66244821) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
PubChem CID66244821
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC2CNCC2C1(C)C
InChIInChI=1S/C12H25N3O2S/c1-5-14(6-2)18(16,17)15-9-10-7-13-8-11(10)12(15,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyMLGQXJABXFULRS-UHFFFAOYSA-N
XLogP0.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
The IUPAC name of N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide (CID 66244821) is N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide is CCN(CC)S(=O)(=O)N1CC2CNCC2C1(C)C.
What is the InChIKey of N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
The InChIKey is MLGQXJABXFULRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-5-14(6-2)18(16,17)15-9-10-7-13-8-11(10)12(15,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide is sourced from PubChem (CID 66244821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).