[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium

C10H20N3OS+ — CID 2006912

IUPAC[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium
SMILESCCCCSc1nnc([C@@H]([NH3+])C(C)C)o1
InChIInChI=1S/C10H19N3OS/c1-4-5-6-15-10-13-12-9(14-10)8(11)7(2)3/h7-8H,4-6,11H2,1-3H3/p+1/t8-/m0/s1
InChIKeyIXCKHZUJPIMGEE-QMMMGPOBSA-O
MW230.36 g/mol
LogP1.90
Rot. Bonds6

About [(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium

[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium (PubChem CID 2006912) has the molecular formula C10H20N3OS+ and a molecular weight of 230.36 g/mol. Its IUPAC name is [(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium
PubChem CID2006912
Molecular FormulaC10H20N3OS+
Molecular Weight230.36 g/mol
Exact Mass230.13
IUPAC Name[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium
SMILESCCCCSc1nnc([C@@H]([NH3+])C(C)C)o1
InChIInChI=1S/C10H19N3OS/c1-4-5-6-15-10-13-12-9(14-10)8(11)7(2)3/h7-8H,4-6,11H2,1-3H3/p+1/t8-/m0/s1
InChIKeyIXCKHZUJPIMGEE-QMMMGPOBSA-O
XLogP1.90
TPSA66.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 9170516
[2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butyl]azanium
CID 4917220
3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
CID 39240460
[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl]azanium chloride
CID 44661746
[(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
2-propan-2-yl-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazole
CID 86155661
[(1S,2R)-1-[5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]azanium
CID 9170613
2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 54590696
[(1S)-1-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]azanium chloride
CID 44665081
6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexan-1-ol
CID 103867892
N-(3-methylbutan-2-yl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42932674

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium?
The IUPAC name of [(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium (CID 2006912) is [(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium.
What is the SMILES notation for [(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium?
The canonical SMILES for [(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium is CCCCSc1nnc([C@@H]([NH3+])C(C)C)o1.
What is the InChIKey of [(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium?
The InChIKey is IXCKHZUJPIMGEE-QMMMGPOBSA-O. The full InChI is InChI=1S/C10H19N3OS/c1-4-5-6-15-10-13-12-9(14-10)8(11)7(2)3/h7-8H,4-6,11H2,1-3H3/p+1/t8-/m0/s1.
What are the key properties of [(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium?
[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium has a molecular weight of 230.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]azanium is sourced from PubChem (CID 2006912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).