N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide

C13H27N5O2S — CID 51105420

IUPACN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNCc1c(C)nn(C)c1N(C)C
InChIInChI=1S/C13H27N5O2S/c1-6-21(19,20)15-9-7-8-14-10-12-11(2)16-18(5)13(12)17(3)4/h14-15H,6-10H2,1-5H3
InChIKeyHKNAURYQKHFEPV-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.21
Rot. Bonds9

About N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide (PubChem CID 51105420) has the molecular formula C13H27N5O2S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide
PubChem CID51105420
Molecular FormulaC13H27N5O2S
Molecular Weight317.46 g/mol
Exact Mass317.19
IUPAC NameN-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNCc1c(C)nn(C)c1N(C)C
InChIInChI=1S/C13H27N5O2S/c1-6-21(19,20)15-9-7-8-14-10-12-11(2)16-18(5)13(12)17(3)4/h14-15H,6-10H2,1-5H3
InChIKeyHKNAURYQKHFEPV-UHFFFAOYSA-N
XLogP0.21
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide 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 N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide?
The IUPAC name of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide (CID 51105420) is N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide?
The canonical SMILES for N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide is CCS(=O)(=O)NCCCNCc1c(C)nn(C)c1N(C)C.
What is the InChIKey of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide?
The InChIKey is HKNAURYQKHFEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2S/c1-6-21(19,20)15-9-7-8-14-10-12-11(2)16-18(5)13(12)17(3)4/h14-15H,6-10H2,1-5H3.
What are the key properties of N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide?
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide is sourced from PubChem (CID 51105420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).