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

C11H20N4O3S — CID 163160946

IUPACN-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H]1C[C@@H](c2nc(C)no2)N(C)C1
InChIInChI=1S/C11H20N4O3S/c1-4-5-19(16,17)14-9-6-10(15(3)7-9)11-12-8(2)13-18-11/h9-10,14H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyQYNNUCFHOKNMJN-ZJUUUORDSA-N
MW288.37 g/mol
LogP0.45
Rot. Bonds5

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

N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 163160946) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID163160946
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H]1C[C@@H](c2nc(C)no2)N(C)C1
InChIInChI=1S/C11H20N4O3S/c1-4-5-19(16,17)14-9-6-10(15(3)7-9)11-12-8(2)13-18-11/h9-10,14H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyQYNNUCFHOKNMJN-ZJUUUORDSA-N
XLogP0.45
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
CID 74442685
(3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
CID 163148156
1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
CID 75111395
N-[(3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 25338586
4-methyl-N-[(3S,5S)-1-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]benzenesulfonamide
CID 25338368
N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-4-phenylbenzamide
CID 28960954
N-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 74577528
2-methoxy-N-[[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 155245422
4-methyl-N-[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 25338785
1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 25338703
4-chloro-N-[1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 74577476
5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128975147

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide (CID 163160946) is N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@@H]1C[C@@H](c2nc(C)no2)N(C)C1.
What is the InChIKey of N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is QYNNUCFHOKNMJN-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-4-5-19(16,17)14-9-6-10(15(3)7-9)11-12-8(2)13-18-11/h9-10,14H,4-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide?
N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 163160946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).