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

C6H11N3O2S — CID 155978191

IUPAC2-(1-methylpyrazol-4-yl)sulfonylethanamine
SMILESCn1cc(S(=O)(=O)CCN)cn1
InChIInChI=1S/C6H11N3O2S/c1-9-5-6(4-8-9)12(10,11)3-2-7/h4-5H,2-3,7H2,1H3
InChIKeyFRVPUDBQPIUCHP-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.85
Rot. Bonds3

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

2-(1-methylpyrazol-4-yl)sulfonylethanamine (PubChem CID 155978191) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfonylethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfonylethanamine
PubChem CID155978191
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name2-(1-methylpyrazol-4-yl)sulfonylethanamine
SMILESCn1cc(S(=O)(=O)CCN)cn1
InChIInChI=1S/C6H11N3O2S/c1-9-5-6(4-8-9)12(10,11)3-2-7/h4-5H,2-3,7H2,1H3
InChIKeyFRVPUDBQPIUCHP-UHFFFAOYSA-N
XLogP-0.85
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.85
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?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfonylethanamine (CID 155978191) is 2-(1-methylpyrazol-4-yl)sulfonylethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfonylethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfonylethanamine is Cn1cc(S(=O)(=O)CCN)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfonylethanamine?
The InChIKey is FRVPUDBQPIUCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-9-5-6(4-8-9)12(10,11)3-2-7/h4-5H,2-3,7H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfonylethanamine?
2-(1-methylpyrazol-4-yl)sulfonylethanamine has a molecular weight of 189.24 g/mol, XLogP of -0.85, 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 is sourced from PubChem (CID 155978191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).