2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine

C6H12F2N2O2S — CID 131187813

IUPAC2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine
SMILESNCCS(=O)(=O)N1CCC(F)(F)C1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)1-3-10(5-6)13(11,12)4-2-9/h1-5,9H2
InChIKeyIWNAYEAMQXQNSH-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.38
Rot. Bonds3

About 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine

2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine (PubChem CID 131187813) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine
PubChem CID131187813
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine
SMILESNCCS(=O)(=O)N1CCC(F)(F)C1
InChIInChI=1S/C6H12F2N2O2S/c7-6(8)1-3-10(5-6)13(11,12)4-2-9/h1-5,9H2
InChIKeyIWNAYEAMQXQNSH-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine (CID 131187813) is 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine is NCCS(=O)(=O)N1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine?
The InChIKey is IWNAYEAMQXQNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c7-6(8)1-3-10(5-6)13(11,12)4-2-9/h1-5,9H2.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine?
2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine has a molecular weight of 214.24 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)sulfonylethanamine is sourced from PubChem (CID 131187813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).