1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one

C9H13F3N2O4S — CID 140736707

IUPAC1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1C(C(F)(F)F)CCN1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C9H13F3N2O4S/c10-9(11,12)7-2-4-14(8(7)16)19(17,18)13-3-1-6(15)5-13/h6-7,15H,1-5H2
InChIKeyVOKWYIZZHDAHMS-UHFFFAOYSA-N
MW302.27 g/mol
LogP-0.29
Rot. Bonds2

About 1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one

1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 140736707) has the molecular formula C9H13F3N2O4S and a molecular weight of 302.27 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one
PubChem CID140736707
Molecular FormulaC9H13F3N2O4S
Molecular Weight302.27 g/mol
Exact Mass302.05
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1C(C(F)(F)F)CCN1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C9H13F3N2O4S/c10-9(11,12)7-2-4-14(8(7)16)19(17,18)13-3-1-6(15)5-13/h6-7,15H,1-5H2
InChIKeyVOKWYIZZHDAHMS-UHFFFAOYSA-N
XLogP-0.29
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one (CID 140736707) is 1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one is O=C1C(C(F)(F)F)CCN1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is VOKWYIZZHDAHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O4S/c10-9(11,12)7-2-4-14(8(7)16)19(17,18)13-3-1-6(15)5-13/h6-7,15H,1-5H2.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one?
1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 302.27 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 140736707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).