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

C8H16N3OS+ — CID 7514072

IUPAC[(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
SMILESCSc1nnc([C@@H]([NH3+])CC(C)C)o1
InChIInChI=1S/C8H15N3OS/c1-5(2)4-6(9)7-10-11-8(12-7)13-3/h5-6H,4,9H2,1-3H3/p+1/t6-/m0/s1
InChIKeyWDUGKHDREOQDJH-LURJTMIESA-O
MW202.30 g/mol
LogP1.12
Rot. Bonds4

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

[(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium (PubChem CID 7514072) has the molecular formula C8H16N3OS+ and a molecular weight of 202.30 g/mol. Its IUPAC name is [(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium.

Molecular Properties

Compound Name[(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
PubChem CID7514072
Molecular FormulaC8H16N3OS+
Molecular Weight202.30 g/mol
Exact Mass202.10
IUPAC Name[(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
SMILESCSc1nnc([C@@H]([NH3+])CC(C)C)o1
InChIInChI=1S/C8H15N3OS/c1-5(2)4-6(9)7-10-11-8(12-7)13-3/h5-6H,4,9H2,1-3H3/p+1/t6-/m0/s1
InChIKeyWDUGKHDREOQDJH-LURJTMIESA-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

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Related Compounds

[2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
CID 4917220
[3-methyl-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butyl]azanium
CID 4977788
(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
CID 52995250
2-(diiodomethyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 59896307
[(1R)-2-(1H-indol-3-yl)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 7924294
[(1S)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylbutyl]azanium chloride
CID 44663339
2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-ol
CID 116995970
[1-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylbutyl]azanium
CID 4976987
[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylbutyl]azanium chloride
CID 44661787
[(1S)-1-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylbutyl]azanium chloride
CID 44663202
[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium
CID 2006912
2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 936397

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium?
The IUPAC name of [(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium (CID 7514072) is [(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium.
What is the SMILES notation for [(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium?
The canonical SMILES for [(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium is CSc1nnc([C@@H]([NH3+])CC(C)C)o1.
What is the InChIKey of [(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium?
The InChIKey is WDUGKHDREOQDJH-LURJTMIESA-O. The full InChI is InChI=1S/C8H15N3OS/c1-5(2)4-6(9)7-10-11-8(12-7)13-3/h5-6H,4,9H2,1-3H3/p+1/t6-/m0/s1.
What are the key properties of [(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium?
[(1S)-3-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 [(1S)-3-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium is sourced from PubChem (CID 7514072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).