N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide

C8H9N3O3S2 — CID 47429780

IUPACN-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nc(-c2ccsc2)no1
InChIInChI=1S/C8H9N3O3S2/c1-16(12,13)9-4-7-10-8(11-14-7)6-2-3-15-5-6/h2-3,5,9H,4H2,1H3
InChIKeyPJVXVRLZKVNBAO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.85
Rot. Bonds4

About N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide

N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide (PubChem CID 47429780) has the molecular formula C8H9N3O3S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
PubChem CID47429780
Molecular FormulaC8H9N3O3S2
Molecular Weight259.31 g/mol
Exact Mass259.01
IUPAC NameN-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nc(-c2ccsc2)no1
InChIInChI=1S/C8H9N3O3S2/c1-16(12,13)9-4-7-10-8(11-14-7)6-2-3-15-5-6/h2-3,5,9H,4H2,1H3
InChIKeyPJVXVRLZKVNBAO-UHFFFAOYSA-N
XLogP0.85
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 4976105
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933
methyl 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 17453489
2-cyclopropyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 55107388
2-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 48682452
1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
CID 119947853
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
CID 51252522
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
N-butyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 24616632
2-chloro-4-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 24674213
5-bromo-2-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47313618

Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide (CID 47429780) is N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide is CS(=O)(=O)NCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
The InChIKey is PJVXVRLZKVNBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S2/c1-16(12,13)9-4-7-10-8(11-14-7)6-2-3-15-5-6/h2-3,5,9H,4H2,1H3.
What are the key properties of N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide?
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide has a molecular weight of 259.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 47429780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).