N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide

C14H20N4O3S2 — CID 126803332

IUPACN-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(c2nc(Cc3ccc(C)s3)no2)CC1
InChIInChI=1S/C14H20N4O3S2/c1-10-3-4-12(22-10)9-13-16-14(21-17-13)11-5-7-18(8-6-11)23(19,20)15-2/h3-4,11,15H,5-9H2,1-2H3
InChIKeyYNMGIDKFPCKSTD-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.67
Rot. Bonds5

About N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide

N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide (PubChem CID 126803332) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
PubChem CID126803332
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC NameN-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(c2nc(Cc3ccc(C)s3)no2)CC1
InChIInChI=1S/C14H20N4O3S2/c1-10-3-4-12(22-10)9-13-16-14(21-17-13)11-5-7-18(8-6-11)23(19,20)15-2/h3-4,11,15H,5-9H2,1-2H3
InChIKeyYNMGIDKFPCKSTD-UHFFFAOYSA-N
XLogP1.67
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
The IUPAC name of N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide (CID 126803332) is N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
The canonical SMILES for N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide is CNS(=O)(=O)N1CCC(c2nc(Cc3ccc(C)s3)no2)CC1.
What is the InChIKey of N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
The InChIKey is YNMGIDKFPCKSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-10-3-4-12(22-10)9-13-16-14(21-17-13)11-5-7-18(8-6-11)23(19,20)15-2/h3-4,11,15H,5-9H2,1-2H3.
What are the key properties of N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide has a molecular weight of 356.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 126803332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).