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

C11H21N3O2S — CID 121185681

IUPAC2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC2CN(C3CC3)CC2C1
InChIInChI=1S/C11H21N3O2S/c1-12(2)17(15,16)14-7-9-5-13(11-3-4-11)6-10(9)8-14/h9-11H,3-8H2,1-2H3
InChIKeyJZKMMAZXWKYNHW-UHFFFAOYSA-N
MW259.37 g/mol
LogP-0.18
Rot. Bonds3

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

2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide (PubChem CID 121185681) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
PubChem CID121185681
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC2CN(C3CC3)CC2C1
InChIInChI=1S/C11H21N3O2S/c1-12(2)17(15,16)14-7-9-5-13(11-3-4-11)6-10(9)8-14/h9-11H,3-8H2,1-2H3
InChIKeyJZKMMAZXWKYNHW-UHFFFAOYSA-N
XLogP-0.18
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
The IUPAC name of 2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide (CID 121185681) is 2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide.
What is the SMILES notation for 2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
The canonical SMILES for 2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide is CN(C)S(=O)(=O)N1CC2CN(C3CC3)CC2C1.
What is the InChIKey of 2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
The InChIKey is JZKMMAZXWKYNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-12(2)17(15,16)14-7-9-5-13(11-3-4-11)6-10(9)8-14/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide?
2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide is sourced from PubChem (CID 121185681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).