N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide

C8H16N4O2S — CID 115319872

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1cc(N)cn1
InChIInChI=1S/C8H16N4O2S/c1-2-5-15(13,14)11-3-4-12-7-8(9)6-10-12/h6-7,11H,2-5,9H2,1H3
InChIKeyZXTRUNUDYDQERJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.21
Rot. Bonds6

About N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide

N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 115319872) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide
PubChem CID115319872
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1cc(N)cn1
InChIInChI=1S/C8H16N4O2S/c1-2-5-15(13,14)11-3-4-12-7-8(9)6-10-12/h6-7,11H,2-5,9H2,1H3
InChIKeyZXTRUNUDYDQERJ-UHFFFAOYSA-N
XLogP-0.21
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate
CID 115319868
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide
CID 115319879
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 115319861
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115319875
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-methylsulfonylacetamide
CID 115319573
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-propylpentanamide
CID 82985272
N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 115319829
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide
CID 106996486
1-(2-propylsulfanylethyl)pyrazol-4-amine
CID 62137009
2-[2-(4-aminopyrazol-1-yl)ethylamino]benzenesulfonamide
CID 115320081
N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
CID 112686403

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide (CID 115319872) is N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCn1cc(N)cn1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is ZXTRUNUDYDQERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-2-5-15(13,14)11-3-4-12-7-8(9)6-10-12/h6-7,11H,2-5,9H2,1H3.
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 115319872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).