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

C15H20N4O3S — CID 25338721

IUPACN-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
SMILESCc1noc([C@@H]2C[C@H](NS(=O)(=O)Cc3ccccc3)CN2C)n1
InChIInChI=1S/C15H20N4O3S/c1-11-16-15(22-17-11)14-8-13(9-19(14)2)18-23(20,21)10-12-6-4-3-5-7-12/h3-7,13-14,18H,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyBDVDIQXMNOKMGG-KBPBESRZSA-N
MW336.42 g/mol
LogP1.24
Rot. Bonds5

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

N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide (PubChem CID 25338721) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
PubChem CID25338721
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
SMILESCc1noc([C@@H]2C[C@H](NS(=O)(=O)Cc3ccccc3)CN2C)n1
InChIInChI=1S/C15H20N4O3S/c1-11-16-15(22-17-11)14-8-13(9-19(14)2)18-23(20,21)10-12-6-4-3-5-7-12/h3-7,13-14,18H,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyBDVDIQXMNOKMGG-KBPBESRZSA-N
XLogP1.24
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide (CID 25338721) is N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide is Cc1noc([C@@H]2C[C@H](NS(=O)(=O)Cc3ccccc3)CN2C)n1.
What is the InChIKey of N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is BDVDIQXMNOKMGG-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11-16-15(22-17-11)14-8-13(9-19(14)2)18-23(20,21)10-12-6-4-3-5-7-12/h3-7,13-14,18H,8-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 25338721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).