(3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

C13H19F3N4O3S — CID 166263491

IUPAC(3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
SMILESCCn1ccnc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1
InChIInChI=1S/C13H19F3N4O3S/c1-4-19-6-5-17-11(19)12(21)20-7-9(13(14,15)16)10(8-20)24(22,23)18(2)3/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyGMMWYNNGTNUOSC-UWVGGRQHSA-N
MW368.38 g/mol
LogP0.80
Rot. Bonds4

About (3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

(3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide (PubChem CID 166263491) has the molecular formula C13H19F3N4O3S and a molecular weight of 368.38 g/mol. Its IUPAC name is (3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
PubChem CID166263491
Molecular FormulaC13H19F3N4O3S
Molecular Weight368.38 g/mol
Exact Mass368.11
IUPAC Name(3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
SMILESCCn1ccnc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1
InChIInChI=1S/C13H19F3N4O3S/c1-4-19-6-5-17-11(19)12(21)20-7-9(13(14,15)16)10(8-20)24(22,23)18(2)3/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyGMMWYNNGTNUOSC-UWVGGRQHSA-N
XLogP0.80
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
The IUPAC name of (3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide (CID 166263491) is (3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for (3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for (3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide is CCn1ccnc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(=O)(=O)N(C)C)C1.
What is the InChIKey of (3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
The InChIKey is GMMWYNNGTNUOSC-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H19F3N4O3S/c1-4-19-6-5-17-11(19)12(21)20-7-9(13(14,15)16)10(8-20)24(22,23)18(2)3/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
(3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide has a molecular weight of 368.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(1-ethylimidazole-2-carbonyl)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 166263491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).