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

C9H15N3O2S — CID 106410052

IUPAC3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide
SMILESCc1nc(CNC(=O)C(S)C(C)C)no1
InChIInChI=1S/C9H15N3O2S/c1-5(2)8(15)9(13)10-4-7-11-6(3)14-12-7/h5,8,15H,4H2,1-3H3,(H,10,13)
InChIKeyOOHUWJLRIPDWIY-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.95
Rot. Bonds4

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

3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide (PubChem CID 106410052) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide
PubChem CID106410052
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide
SMILESCc1nc(CNC(=O)C(S)C(C)C)no1
InChIInChI=1S/C9H15N3O2S/c1-5(2)8(15)9(13)10-4-7-11-6(3)14-12-7/h5,8,15H,4H2,1-3H3,(H,10,13)
InChIKeyOOHUWJLRIPDWIY-UHFFFAOYSA-N
XLogP0.95
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620
(2R)-2-amino-3,3-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 106396531
2-amino-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811641
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
ethyl 3,3-dimethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]butanoate
CID 104917814
2-amino-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396516
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 106402516
3-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-5-oxopentanoic acid
CID 106394544
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
CID 107911409
4-(2-aminoethyl)-5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide
CID 106396814
2-methyl-2-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396588

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide?
The IUPAC name of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide (CID 106410052) is 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide?
The canonical SMILES for 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide is Cc1nc(CNC(=O)C(S)C(C)C)no1.
What is the InChIKey of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide?
The InChIKey is OOHUWJLRIPDWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(2)8(15)9(13)10-4-7-11-6(3)14-12-7/h5,8,15H,4H2,1-3H3,(H,10,13).
What are the key properties of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide?
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide has a molecular weight of 229.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide is sourced from PubChem (CID 106410052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).