2-pyrrolidin-1-ylsulfonylethanamine

C6H14N2O2S — CID 1133629

IUPAC2-pyrrolidin-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C6H14N2O2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-7H2
InChIKeyJRFULQLOOJLLNB-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.63
Rot. Bonds3

About 2-pyrrolidin-1-ylsulfonylethanamine

2-pyrrolidin-1-ylsulfonylethanamine (PubChem CID 1133629) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylsulfonylethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-ylsulfonylethanamine
PubChem CID1133629
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-pyrrolidin-1-ylsulfonylethanamine
SMILESNCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C6H14N2O2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-7H2
InChIKeyJRFULQLOOJLLNB-UHFFFAOYSA-N
XLogP-0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylsulfonylethanamine?
The IUPAC name of 2-pyrrolidin-1-ylsulfonylethanamine (CID 1133629) is 2-pyrrolidin-1-ylsulfonylethanamine.
What is the SMILES notation for 2-pyrrolidin-1-ylsulfonylethanamine?
The canonical SMILES for 2-pyrrolidin-1-ylsulfonylethanamine is NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylsulfonylethanamine?
The InChIKey is JRFULQLOOJLLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-3-6-11(9,10)8-4-1-2-5-8/h1-7H2.
What are the key properties of 2-pyrrolidin-1-ylsulfonylethanamine?
2-pyrrolidin-1-ylsulfonylethanamine has a molecular weight of 178.26 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylsulfonylethanamine is sourced from PubChem (CID 1133629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).