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'}

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Related Compounds

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 51104851
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
CID 51105059
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylethanesulfonamide
CID 51105083
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide
CID 51105102
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-ethylmethanesulfonamide
CID 53539231
N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 53542538
N,N,1,3-tetramethyl-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 53550850
N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 56822597
N,N,3-trimethyl-1-(2-methylpropyl)-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 72045679
N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-3-sulfanylpropanamide
CID 177680698
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide
CID 154743577
N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 162573276

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).