1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H15F3N2O5S — CID 63708542

IUPAC1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C10H15F3N2O5S/c11-10(12,13)9(8(16)17)1-2-15(7-9)21(18,19)14-3-5-20-6-4-14/h1-7H2,(H,16,17)
InChIKeySCCIRPITHROSAZ-UHFFFAOYSA-N
MW332.30 g/mol
LogP-0.10
Rot. Bonds3

About 1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708542) has the molecular formula C10H15F3N2O5S and a molecular weight of 332.30 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708542
Molecular FormulaC10H15F3N2O5S
Molecular Weight332.30 g/mol
Exact Mass332.07
IUPAC Name1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C10H15F3N2O5S/c11-10(12,13)9(8(16)17)1-2-15(7-9)21(18,19)14-3-5-20-6-4-14/h1-7H2,(H,16,17)
InChIKeySCCIRPITHROSAZ-UHFFFAOYSA-N
XLogP-0.10
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708542) is 1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SCCIRPITHROSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O5S/c11-10(12,13)9(8(16)17)1-2-15(7-9)21(18,19)14-3-5-20-6-4-14/h1-7H2,(H,16,17).
What are the key properties of 1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 332.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).