(3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide

C15H20N4O3S — CID 129417073

IUPAC(3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide
SMILESCc1noc([C@@H]2CN(S(=O)(=O)N(C)C)C[C@H]2c2ccccc2)n1
InChIInChI=1S/C15H20N4O3S/c1-11-16-15(22-17-11)14-10-19(23(20,21)18(2)3)9-13(14)12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m0/s1
InChIKeyKWGQJWJCXQLWPJ-UONOGXRCSA-N
MW336.42 g/mol
LogP1.37
Rot. Bonds4

About (3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide

(3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide (PubChem CID 129417073) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide
PubChem CID129417073
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide
SMILESCc1noc([C@@H]2CN(S(=O)(=O)N(C)C)C[C@H]2c2ccccc2)n1
InChIInChI=1S/C15H20N4O3S/c1-11-16-15(22-17-11)14-10-19(23(20,21)18(2)3)9-13(14)12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m0/s1
InChIKeyKWGQJWJCXQLWPJ-UONOGXRCSA-N
XLogP1.37
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129418097
[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 129417393
[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129416756
1,3-benzothiazol-2-yl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 91818932
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417214
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 129418052
[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 129418054
(4-methoxyphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 156601842
(4-methoxyphenyl)-[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 87051849
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124856033
[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129417122
methyl 4-[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]benzoate
CID 100756690

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide?
The IUPAC name of (3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide (CID 129417073) is (3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide is Cc1noc([C@@H]2CN(S(=O)(=O)N(C)C)C[C@H]2c2ccccc2)n1.
What is the InChIKey of (3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide?
The InChIKey is KWGQJWJCXQLWPJ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11-16-15(22-17-11)14-10-19(23(20,21)18(2)3)9-13(14)12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide?
(3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,N-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 129417073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).