(3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

C12H18F3N3O3S — CID 146124783

IUPAC(3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
SMILESCc1cnc(CN2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)o1
InChIInChI=1S/C12H18F3N3O3S/c1-8-4-16-11(21-8)7-18-5-9(12(13,14)15)10(6-18)22(19,20)17(2)3/h4,9-10H,5-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyNPJMZZUHEAAOPD-NXEZZACHSA-N
MW341.36 g/mol
LogP1.24
Rot. Bonds4

About (3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

(3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide (PubChem CID 146124783) has the molecular formula C12H18F3N3O3S and a molecular weight of 341.36 g/mol. Its IUPAC name is (3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
PubChem CID146124783
Molecular FormulaC12H18F3N3O3S
Molecular Weight341.36 g/mol
Exact Mass341.10
IUPAC Name(3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
SMILESCc1cnc(CN2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)o1
InChIInChI=1S/C12H18F3N3O3S/c1-8-4-16-11(21-8)7-18-5-9(12(13,14)15)10(6-18)22(19,20)17(2)3/h4,9-10H,5-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyNPJMZZUHEAAOPD-NXEZZACHSA-N
XLogP1.24
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
The IUPAC name of (3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide (CID 146124783) is (3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for (3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for (3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide is Cc1cnc(CN2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)o1.
What is the InChIKey of (3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
The InChIKey is NPJMZZUHEAAOPD-NXEZZACHSA-N. The full InChI is InChI=1S/C12H18F3N3O3S/c1-8-4-16-11(21-8)7-18-5-9(12(13,14)15)10(6-18)22(19,20)17(2)3/h4,9-10H,5-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide?
(3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide has a molecular weight of 341.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 146124783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).