(2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine

C14H16F3N3O4S — CID 131899699

IUPAC(2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)o2)C[C@H](C)O1
InChIInChI=1S/C14H16F3N3O4S/c1-8-6-20(7-9(2)23-8)25(21,22)13-4-3-11(24-13)10-5-12(19-18-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)/t8-,9+
InChIKeyQJPSVAIZKALYPY-DTORHVGOSA-N
MW379.36 g/mol
LogP2.49
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine

(2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine (PubChem CID 131899699) has the molecular formula C14H16F3N3O4S and a molecular weight of 379.36 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine
PubChem CID131899699
Molecular FormulaC14H16F3N3O4S
Molecular Weight379.36 g/mol
Exact Mass379.08
IUPAC Name(2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)o2)C[C@H](C)O1
InChIInChI=1S/C14H16F3N3O4S/c1-8-6-20(7-9(2)23-8)25(21,22)13-4-3-11(24-13)10-5-12(19-18-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)/t8-,9+
InChIKeyQJPSVAIZKALYPY-DTORHVGOSA-N
XLogP2.49
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)propanamide
CID 118741297
(5-(furan-2-yl)-1H-pyrazol-3-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
CID 45504191
5-(3,4-Dimethyl-1H-pyrazol-5-YL)-N-[(5-methylfuran-2-YL)methyl]furan-2-sulfonamide
CID 53075755
1,1,1-trifluoro-3-{4-[5-(2-furyl)-1H-pyrazol-3-yl]piperidino}-2-propanol
CID 3753227
4-{[3-(5-methyl-2-furyl)-1H-pyrazol-5-yl]methyl}morpholine
CID 28375694
N-(4-fluoro-2-methylphenyl)-5-(3-methyl-1H-pyrazol-5-yl)furan-2-sulfonamide
CID 46329424
1-{[5-(3,4-Dimethyl-1H-pyrazol-5-YL)furan-2-YL]sulfonyl}-4-methylpiperazine
CID 50784637
1-{[5-(1H-Pyrazol-5-YL)furan-2-YL]sulfonyl}-4-(pyrrolidine-1-carbonyl)piperidine
CID 50784639
N-(Cyclohexylmethyl)-1-{[5-(1H-pyrazol-5-YL)furan-2-YL]sulfonyl}piperidine-4-carboxamide
CID 50786936
8-(1-{[5-(3-Methyl-1H-pyrazol-5-YL)furan-2-YL]sulfonyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 50787056
N-(4-Acetamidophenyl)-1-{[5-(3-methyl-1H-pyrazol-5-YL)furan-2-YL]sulfonyl}piperidine-4-carboxamide
CID 50787075
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide
CID 53075747

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine (CID 131899699) is (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine is C[C@@H]1CN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)o2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine?
The InChIKey is QJPSVAIZKALYPY-DTORHVGOSA-N. The full InChI is InChI=1S/C14H16F3N3O4S/c1-8-6-20(7-9(2)23-8)25(21,22)13-4-3-11(24-13)10-5-12(19-18-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)/t8-,9+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine?
(2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine has a molecular weight of 379.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylmorpholine is sourced from PubChem (CID 131899699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).