N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide

C12H20N4O4S — CID 71872988

IUPACN-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCCc1nc(C2CCCN2C(=O)CCNS(C)(=O)=O)no1
InChIInChI=1S/C12H20N4O4S/c1-3-10-14-12(15-20-10)9-5-4-8-16(9)11(17)6-7-13-21(2,18)19/h9,13H,3-8H2,1-2H3
InChIKeyCLEUCLQHSDGCSK-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.23
Rot. Bonds6

About N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide

N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide (PubChem CID 71872988) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
PubChem CID71872988
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCCc1nc(C2CCCN2C(=O)CCNS(C)(=O)=O)no1
InChIInChI=1S/C12H20N4O4S/c1-3-10-14-12(15-20-10)9-5-4-8-16(9)11(17)6-7-13-21(2,18)19/h9,13H,3-8H2,1-2H3
InChIKeyCLEUCLQHSDGCSK-UHFFFAOYSA-N
XLogP0.23
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide (CID 71872988) is N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide is CCc1nc(C2CCCN2C(=O)CCNS(C)(=O)=O)no1.
What is the InChIKey of N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
The InChIKey is CLEUCLQHSDGCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-3-10-14-12(15-20-10)9-5-4-8-16(9)11(17)6-7-13-21(2,18)19/h9,13H,3-8H2,1-2H3.
What are the key properties of N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide?
N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 71872988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).