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

C9H17N3OS — CID 107914883

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine
SMILESCSC(C)CCNCc1nnc(C)o1
InChIInChI=1S/C9H17N3OS/c1-7(14-3)4-5-10-6-9-12-11-8(2)13-9/h7,10H,4-6H2,1-3H3
InChIKeyUJGHTJCWHJHSML-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.61
Rot. Bonds6

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine (PubChem CID 107914883) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine
PubChem CID107914883
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine
SMILESCSC(C)CCNCc1nnc(C)o1
InChIInChI=1S/C9H17N3OS/c1-7(14-3)4-5-10-6-9-12-11-8(2)13-9/h7,10H,4-6H2,1-3H3
InChIKeyUJGHTJCWHJHSML-UHFFFAOYSA-N
XLogP1.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
CID 107914431
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 103604755
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
5-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]hexan-2-amine
CID 103604912
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide
CID 106237182
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)-1,3,4-oxadiazol-2-amine
CID 106965113
2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol
CID 106309920
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106010660
N,N-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 103605600
2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106291994
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 114015348
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400820

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine (CID 107914883) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine is CSC(C)CCNCc1nnc(C)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine?
The InChIKey is UJGHTJCWHJHSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7(14-3)4-5-10-6-9-12-11-8(2)13-9/h7,10H,4-6H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylsulfanylbutan-1-amine is sourced from PubChem (CID 107914883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).