N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C10H15F3N2O4S — CID 110424596

IUPACN-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4S/c1-20(18,19)6-4-14-8(16)7-3-2-5-15(7)9(17)10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyDYLQZCHDNUHFAZ-UHFFFAOYSA-N
MW316.30 g/mol
LogP-0.30
Rot. Bonds4

About N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110424596) has the molecular formula C10H15F3N2O4S and a molecular weight of 316.30 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110424596
Molecular FormulaC10H15F3N2O4S
Molecular Weight316.30 g/mol
Exact Mass316.07
IUPAC NameN-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4S/c1-20(18,19)6-4-14-8(16)7-3-2-5-15(7)9(17)10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyDYLQZCHDNUHFAZ-UHFFFAOYSA-N
XLogP-0.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110424596) is N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CS(=O)(=O)CCNC(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is DYLQZCHDNUHFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4S/c1-20(18,19)6-4-14-8(16)7-3-2-5-15(7)9(17)10(11,12)13/h7H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 316.30 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110424596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).