[2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium

C8H16N3OS+ — CID 4917220

IUPAC[2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
SMILESCCC(C)C([NH3+])c1nnc(SC)o1
InChIInChI=1S/C8H15N3OS/c1-4-5(2)6(9)7-10-11-8(12-7)13-3/h5-6H,4,9H2,1-3H3/p+1
InChIKeyRGIYMGKWTCDUBW-UHFFFAOYSA-O
MW202.30 g/mol
LogP1.12
Rot. Bonds4

About [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium

[2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium (PubChem CID 4917220) has the molecular formula C8H16N3OS+ and a molecular weight of 202.30 g/mol. Its IUPAC name is [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium.

Molecular Properties

Compound Name[2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
PubChem CID4917220
Molecular FormulaC8H16N3OS+
Molecular Weight202.30 g/mol
Exact Mass202.10
IUPAC Name[2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
SMILESCCC(C)C([NH3+])c1nnc(SC)o1
InChIInChI=1S/C8H15N3OS/c1-4-5(2)6(9)7-10-11-8(12-7)13-3/h5-6H,4,9H2,1-3H3/p+1
InChIKeyRGIYMGKWTCDUBW-UHFFFAOYSA-O
XLogP1.12
TPSA66.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
CID 7514072
[(1S)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]azanium chloride
CID 44662709
[(1S,2R)-1-[5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]azanium
CID 9170613
2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol
CID 116995970
[(1S)-1-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]azanium chloride
CID 44665081
[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium
CID 2006912
(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
CID 52995250
2-(diiodomethyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 59896307
(1S,2S)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylbutan-1-amine
CID 7976807
[(1R)-2-(1H-indol-3-yl)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 7924294
2-methyl-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butan-1-amine;hydrochloride
CID 16957780
2-[(5-butan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 43148603

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium?
The IUPAC name of [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium (CID 4917220) is [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium.
What is the SMILES notation for [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium?
The canonical SMILES for [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium is CCC(C)C([NH3+])c1nnc(SC)o1.
What is the InChIKey of [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium?
The InChIKey is RGIYMGKWTCDUBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N3OS/c1-4-5(2)6(9)7-10-11-8(12-7)13-3/h5-6H,4,9H2,1-3H3/p+1.
What are the key properties of [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium?
[2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium has a molecular weight of 202.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium is sourced from PubChem (CID 4917220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).