(2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide

C11H16F3N3O4S — CID 129327937

IUPAC(2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide
SMILESCc1noc([C@@H]2CC[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)O2)n1
InChIInChI=1S/C11H16F3N3O4S/c1-6(11(12,13)14)22(18,19)15-5-8-3-4-9(20-8)10-16-7(2)17-21-10/h6,8-9,15H,3-5H2,1-2H3/t6-,8+,9-/m0/s1
InChIKeyXLAKOXLLZMOFCN-ZQARSLAVSA-N
MW343.33 g/mol
LogP1.47
Rot. Bonds5

About (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide

(2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide (PubChem CID 129327937) has the molecular formula C11H16F3N3O4S and a molecular weight of 343.33 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide
PubChem CID129327937
Molecular FormulaC11H16F3N3O4S
Molecular Weight343.33 g/mol
Exact Mass343.08
IUPAC Name(2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide
SMILESCc1noc([C@@H]2CC[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)O2)n1
InChIInChI=1S/C11H16F3N3O4S/c1-6(11(12,13)14)22(18,19)15-5-8-3-4-9(20-8)10-16-7(2)17-21-10/h6,8-9,15H,3-5H2,1-2H3/t6-,8+,9-/m0/s1
InChIKeyXLAKOXLLZMOFCN-ZQARSLAVSA-N
XLogP1.47
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide with MolForge

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Related Compounds

3-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 128965596
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide
CID 128968376
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 122156200
(E)-2-(2-chlorophenyl)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]ethenesulfonamide
CID 128994987
2-amino-5-chloro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 129004123
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 129004563
6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine
CID 128973858
(3S)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]thiolan-3-amine
CID 129330675
5-chloro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrimidin-2-amine
CID 129004564
(3R)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]thian-3-amine
CID 129330101
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 128970291
6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol
CID 128994012

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide?
The IUPAC name of (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide (CID 129327937) is (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide is Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)O2)n1.
What is the InChIKey of (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide?
The InChIKey is XLAKOXLLZMOFCN-ZQARSLAVSA-N. The full InChI is InChI=1S/C11H16F3N3O4S/c1-6(11(12,13)14)22(18,19)15-5-8-3-4-9(20-8)10-16-7(2)17-21-10/h6,8-9,15H,3-5H2,1-2H3/t6-,8+,9-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide?
(2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide has a molecular weight of 343.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 129327937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).