N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C9H15F3N2O3S — CID 103307806

IUPACN-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H15F3N2O3S/c1-6(2)18(16,17)14-7(15)8(9(10,11)12)3-4-13-5-8/h6,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyZHJUDIHYNXMPDI-UHFFFAOYSA-N
MW288.29 g/mol
LogP0.38
Rot. Bonds3

About N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 103307806) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID103307806
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC NameN-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H15F3N2O3S/c1-6(2)18(16,17)14-7(15)8(9(10,11)12)3-4-13-5-8/h6,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyZHJUDIHYNXMPDI-UHFFFAOYSA-N
XLogP0.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 103307806) is N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)S(=O)(=O)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZHJUDIHYNXMPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-6(2)18(16,17)14-7(15)8(9(10,11)12)3-4-13-5-8/h6,13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 288.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103307806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).