N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C8H13F3N2O3S — CID 103306790

IUPACN-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H13F3N2O3S/c1-2-17(15,16)13-6(14)7(8(9,10)11)3-4-12-5-7/h12H,2-5H2,1H3,(H,13,14)
InChIKeyCZUKDUKYNSWKBV-UHFFFAOYSA-N
MW274.26 g/mol
LogP-0.01
Rot. Bonds3

About N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 103306790) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID103306790
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC NameN-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H13F3N2O3S/c1-2-17(15,16)13-6(14)7(8(9,10)11)3-4-12-5-7/h12H,2-5H2,1H3,(H,13,14)
InChIKeyCZUKDUKYNSWKBV-UHFFFAOYSA-N
XLogP-0.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 103306790) is N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCS(=O)(=O)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is CZUKDUKYNSWKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-2-17(15,16)13-6(14)7(8(9,10)11)3-4-12-5-7/h12H,2-5H2,1H3,(H,13,14).
What are the key properties of N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 274.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103306790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).