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

C17H24N4O3S — CID 28960934

IUPACN-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
SMILESCC(C)c1noc([C@@H]2C[C@H](NS(=O)(=O)Cc3ccccc3)CN2C)n1
InChIInChI=1S/C17H24N4O3S/c1-12(2)16-18-17(24-19-16)15-9-14(10-21(15)3)20-25(22,23)11-13-7-5-4-6-8-13/h4-8,12,14-15,20H,9-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyDOYGFGJSBBXVGJ-GJZGRUSLSA-N
MW364.47 g/mol
LogP2.06
Rot. Bonds6

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

N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide (PubChem CID 28960934) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
PubChem CID28960934
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
SMILESCC(C)c1noc([C@@H]2C[C@H](NS(=O)(=O)Cc3ccccc3)CN2C)n1
InChIInChI=1S/C17H24N4O3S/c1-12(2)16-18-17(24-19-16)15-9-14(10-21(15)3)20-25(22,23)11-13-7-5-4-6-8-13/h4-8,12,14-15,20H,9-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyDOYGFGJSBBXVGJ-GJZGRUSLSA-N
XLogP2.06
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.06
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-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide (CID 28960934) is N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide is CC(C)c1noc([C@@H]2C[C@H](NS(=O)(=O)Cc3ccccc3)CN2C)n1.
What is the InChIKey of N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is DOYGFGJSBBXVGJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-12(2)16-18-17(24-19-16)15-9-14(10-21(15)3)20-25(22,23)11-13-7-5-4-6-8-13/h4-8,12,14-15,20H,9-11H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide?
N-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.06, 6 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-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 28960934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).