2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine

C7H14N2O2S — CID 164659352

IUPAC2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine
SMILESC=C1CCN(S(=O)(=O)CCN)C1
InChIInChI=1S/C7H14N2O2S/c1-7-2-4-9(6-7)12(10,11)5-3-8/h1-6,8H2
InChIKeyHKFPQCOVURXMIG-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.46
Rot. Bonds3

About 2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine

2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine (PubChem CID 164659352) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine.

Molecular Properties

Compound Name2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine
PubChem CID164659352
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine
SMILESC=C1CCN(S(=O)(=O)CCN)C1
InChIInChI=1S/C7H14N2O2S/c1-7-2-4-9(6-7)12(10,11)5-3-8/h1-6,8H2
InChIKeyHKFPQCOVURXMIG-UHFFFAOYSA-N
XLogP-0.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine?
The IUPAC name of 2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine (CID 164659352) is 2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine.
What is the SMILES notation for 2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine?
The canonical SMILES for 2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine is C=C1CCN(S(=O)(=O)CCN)C1.
What is the InChIKey of 2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine?
The InChIKey is HKFPQCOVURXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-7-2-4-9(6-7)12(10,11)5-3-8/h1-6,8H2.
What are the key properties of 2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine?
2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine has a molecular weight of 190.27 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenepyrrolidin-1-yl)sulfonylethanamine is sourced from PubChem (CID 164659352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).