N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride

C6H14Cl2N4O2S — CID 71298911

IUPACN-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride
SMILESCS(=O)(=O)Nc1ccnn1CCN.Cl.Cl
InChIInChI=1S/C6H12N4O2S.2ClH/c1-13(11,12)9-6-2-4-8-10(6)5-3-7;;/h2,4,9H,3,5,7H2,1H3;2*1H
InChIKeyKUEFJIJGRHMIHP-UHFFFAOYSA-N
MW277.18 g/mol
LogP0.06
Rot. Bonds4

About N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride

N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride (PubChem CID 71298911) has the molecular formula C6H14Cl2N4O2S and a molecular weight of 277.18 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride
PubChem CID71298911
Molecular FormulaC6H14Cl2N4O2S
Molecular Weight277.18 g/mol
Exact Mass276.02
IUPAC NameN-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride
SMILESCS(=O)(=O)Nc1ccnn1CCN.Cl.Cl
InChIInChI=1S/C6H12N4O2S.2ClH/c1-13(11,12)9-6-2-4-8-10(6)5-3-7;;/h2,4,9H,3,5,7H2,1H3;2*1H
InChIKeyKUEFJIJGRHMIHP-UHFFFAOYSA-N
XLogP0.06
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride?
The IUPAC name of N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride (CID 71298911) is N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride?
The canonical SMILES for N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride is CS(=O)(=O)Nc1ccnn1CCN.Cl.Cl.
What is the InChIKey of N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride?
The InChIKey is KUEFJIJGRHMIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S.2ClH/c1-13(11,12)9-6-2-4-8-10(6)5-3-7;;/h2,4,9H,3,5,7H2,1H3;2*1H.
What are the key properties of N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride?
N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride has a molecular weight of 277.18 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pyrazol-3-yl]methanesulfonamide;dihydrochloride is sourced from PubChem (CID 71298911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).