N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide

C13H24N4O3S — CID 91923660

IUPACN,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)CC1C(=O)NCCN1C2
InChIInChI=1S/C13H24N4O3S/c1-15(2)21(19,20)17-6-3-13(4-7-17)9-11-12(18)14-5-8-16(11)10-13/h11H,3-10H2,1-2H3,(H,14,18)
InChIKeyBHVJUSYYEZCCLI-UHFFFAOYSA-N
MW316.43 g/mol
LogP-0.92
Rot. Bonds2

About N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide

N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide (PubChem CID 91923660) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide
PubChem CID91923660
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)CC1C(=O)NCCN1C2
InChIInChI=1S/C13H24N4O3S/c1-15(2)21(19,20)17-6-3-13(4-7-17)9-11-12(18)14-5-8-16(11)10-13/h11H,3-10H2,1-2H3,(H,14,18)
InChIKeyBHVJUSYYEZCCLI-UHFFFAOYSA-N
XLogP-0.92
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide?
The IUPAC name of N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide (CID 91923660) is N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide is CN(C)S(=O)(=O)N1CCC2(CC1)CC1C(=O)NCCN1C2.
What is the InChIKey of N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide?
The InChIKey is BHVJUSYYEZCCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-15(2)21(19,20)17-6-3-13(4-7-17)9-11-12(18)14-5-8-16(11)10-13/h11H,3-10H2,1-2H3,(H,14,18).
What are the key properties of N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide?
N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-sulfonamide is sourced from PubChem (CID 91923660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).