2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride

C6H12ClN3O2S — CID 155978190

IUPAC2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)CCN)cn1
InChIInChI=1S/C6H11N3O2S.ClH/c1-9-5-6(4-8-9)12(10,11)3-2-7;/h4-5H,2-3,7H2,1H3;1H
InChIKeyWOUJBEFGXPYDLE-UHFFFAOYSA-N
MW225.70 g/mol
LogP-0.43
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride

2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride (PubChem CID 155978190) has the molecular formula C6H12ClN3O2S and a molecular weight of 225.70 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride
PubChem CID155978190
Molecular FormulaC6H12ClN3O2S
Molecular Weight225.70 g/mol
Exact Mass225.03
IUPAC Name2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)CCN)cn1
InChIInChI=1S/C6H11N3O2S.ClH/c1-9-5-6(4-8-9)12(10,11)3-2-7;/h4-5H,2-3,7H2,1H3;1H
InChIKeyWOUJBEFGXPYDLE-UHFFFAOYSA-N
XLogP-0.43
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride (CID 155978190) is 2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride is Cl.Cn1cc(S(=O)(=O)CCN)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride?
The InChIKey is WOUJBEFGXPYDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S.ClH/c1-9-5-6(4-8-9)12(10,11)3-2-7;/h4-5H,2-3,7H2,1H3;1H.
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride?
2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride has a molecular weight of 225.70 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfonylethanamine;hydrochloride is sourced from PubChem (CID 155978190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).