1-ethylsulfonylpyrrolidin-3-amine

C6H14N2O2S — CID 62067218

IUPAC1-ethylsulfonylpyrrolidin-3-amine
SMILESCCS(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C6H14N2O2S/c1-2-11(9,10)8-4-3-6(7)5-8/h6H,2-5,7H2,1H3
InChIKeyOMDUAQVCYBNSKP-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.63
Rot. Bonds2

About 1-ethylsulfonylpyrrolidin-3-amine

1-ethylsulfonylpyrrolidin-3-amine (PubChem CID 62067218) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-ethylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-ethylsulfonylpyrrolidin-3-amine
PubChem CID62067218
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1-ethylsulfonylpyrrolidin-3-amine
SMILESCCS(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C6H14N2O2S/c1-2-11(9,10)8-4-3-6(7)5-8/h6H,2-5,7H2,1H3
InChIKeyOMDUAQVCYBNSKP-UHFFFAOYSA-N
XLogP-0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 1-ethylsulfonylpyrrolidin-3-amine?
The IUPAC name of 1-ethylsulfonylpyrrolidin-3-amine (CID 62067218) is 1-ethylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-ethylsulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-ethylsulfonylpyrrolidin-3-amine is CCS(=O)(=O)N1CCC(N)C1.
What is the InChIKey of 1-ethylsulfonylpyrrolidin-3-amine?
The InChIKey is OMDUAQVCYBNSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-11(9,10)8-4-3-6(7)5-8/h6H,2-5,7H2,1H3.
What are the key properties of 1-ethylsulfonylpyrrolidin-3-amine?
1-ethylsulfonylpyrrolidin-3-amine has a molecular weight of 178.26 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 62067218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).