2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide

C13H21N5O3S — CID 155503456

IUPAC2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CCc3c2nc(N)[nH]c3=O)CC1
InChIInChI=1S/C13H21N5O3S/c1-17(2)22(20,21)18-7-5-13(6-8-18)4-3-9-10(13)15-12(14)16-11(9)19/h3-8H2,1-2H3,(H3,14,15,16,19)
InChIKeyHXTOSQZPASZLQV-UHFFFAOYSA-N
MW327.41 g/mol
LogP-0.56
Rot. Bonds2

About 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide

2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide (PubChem CID 155503456) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide
PubChem CID155503456
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC Name2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CCc3c2nc(N)[nH]c3=O)CC1
InChIInChI=1S/C13H21N5O3S/c1-17(2)22(20,21)18-7-5-13(6-8-18)4-3-9-10(13)15-12(14)16-11(9)19/h3-8H2,1-2H3,(H3,14,15,16,19)
InChIKeyHXTOSQZPASZLQV-UHFFFAOYSA-N
XLogP-0.56
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide (CID 155503456) is 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide is CN(C)S(=O)(=O)N1CCC2(CCc3c2nc(N)[nH]c3=O)CC1.
What is the InChIKey of 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide?
The InChIKey is HXTOSQZPASZLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-17(2)22(20,21)18-7-5-13(6-8-18)4-3-9-10(13)15-12(14)16-11(9)19/h3-8H2,1-2H3,(H3,14,15,16,19).
What are the key properties of 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide?
2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-sulfonamide is sourced from PubChem (CID 155503456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).