N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H17F3N2O3S — CID 64642814

IUPACN-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O3S/c1-7(5-19(2,17)18)15-8(16)9(10(11,12)13)3-4-14-6-9/h7,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyZJLOMHKUWSXJNE-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.08
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 64642814) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID64642814
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O3S/c1-7(5-19(2,17)18)15-8(16)9(10(11,12)13)3-4-14-6-9/h7,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyZJLOMHKUWSXJNE-UHFFFAOYSA-N
XLogP0.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 64642814) is N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(CS(C)(=O)=O)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZJLOMHKUWSXJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c1-7(5-19(2,17)18)15-8(16)9(10(11,12)13)3-4-14-6-9/h7,14H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 302.32 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 64642814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).