(1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine

C8H15N3OS — CID 2772001

IUPAC(1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine
SMILESCCC(C)[C@H](N)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/t5?,6-/m0/s1
InChIKeyRGIYMGKWTCDUBW-GDVGLLTNSA-N
MW201.29 g/mol
LogP1.84
Rot. Bonds4

About (1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine

(1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine (PubChem CID 2772001) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is (1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine
PubChem CID2772001
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name(1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine
SMILESCCC(C)[C@H](N)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/t5?,6-/m0/s1
InChIKeyRGIYMGKWTCDUBW-GDVGLLTNSA-N
XLogP1.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine (CID 2772001) is (1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine is CCC(C)[C@H](N)c1nnc(SC)o1.
What is the InChIKey of (1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine?
The InChIKey is RGIYMGKWTCDUBW-GDVGLLTNSA-N. 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/t5?,6-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine?
(1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine has a molecular weight of 201.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine is sourced from PubChem (CID 2772001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).