2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate

C12H13F4NO5S2 — CID 167889935

IUPAC2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
SMILESO=C(OCC(F)C(F)(F)F)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H13F4NO5S2/c13-9(12(14,15)16)7-22-11(18)10-8(1-6-23-10)24(19,20)17-2-4-21-5-3-17/h1,6,9H,2-5,7H2
InChIKeyRNOPFHZYROBYBA-UHFFFAOYSA-N
MW391.36 g/mol
LogP1.83
Rot. Bonds5

About 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate

2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate (PubChem CID 167889935) has the molecular formula C12H13F4NO5S2 and a molecular weight of 391.36 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Name2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
PubChem CID167889935
Molecular FormulaC12H13F4NO5S2
Molecular Weight391.36 g/mol
Exact Mass391.02
IUPAC Name2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
SMILESO=C(OCC(F)C(F)(F)F)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H13F4NO5S2/c13-9(12(14,15)16)7-22-11(18)10-8(1-6-23-10)24(19,20)17-2-4-21-5-3-17/h1,6,9H,2-5,7H2
InChIKeyRNOPFHZYROBYBA-UHFFFAOYSA-N
XLogP1.83
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate 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

3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
(3-methoxyphenyl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
CID 55456109
(2-chloroquinolin-3-yl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
CID 25386928
methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 18209328
(2-amino-2-oxoethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 33079593
[3-(trifluoromethyl)phenyl]methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 46517261
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 55535803
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933
(3-methyl-1,2-oxazol-5-yl)methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 33130674

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The IUPAC name of 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate (CID 167889935) is 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The canonical SMILES for 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate is O=C(OCC(F)C(F)(F)F)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The InChIKey is RNOPFHZYROBYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO5S2/c13-9(12(14,15)16)7-22-11(18)10-8(1-6-23-10)24(19,20)17-2-4-21-5-3-17/h1,6,9H,2-5,7H2.
What are the key properties of 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate has a molecular weight of 391.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoropropyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 167889935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).