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

C8H15N3OS — CID 64633889

IUPACN-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
SMILESCNC(C)C(C)Sc1nnc(C)o1
InChIInChI=1S/C8H15N3OS/c1-5(9-4)6(2)13-8-11-10-7(3)12-8/h5-6,9H,1-4H3
InChIKeyQBVFQEOHBHWKNI-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.47
Rot. Bonds4

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

N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine (PubChem CID 64633889) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
PubChem CID64633889
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC NameN-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
SMILESCNC(C)C(C)Sc1nnc(C)o1
InChIInChI=1S/C8H15N3OS/c1-5(9-4)6(2)13-8-11-10-7(3)12-8/h5-6,9H,1-4H3
InChIKeyQBVFQEOHBHWKNI-UHFFFAOYSA-N
XLogP1.47
TPSA50.95 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
The IUPAC name of N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine (CID 64633889) is N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine.
What is the SMILES notation for N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
The canonical SMILES for N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine is CNC(C)C(C)Sc1nnc(C)o1.
What is the InChIKey of N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
The InChIKey is QBVFQEOHBHWKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-5(9-4)6(2)13-8-11-10-7(3)12-8/h5-6,9H,1-4H3.
What are the key properties of N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine has a molecular weight of 201.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine is sourced from PubChem (CID 64633889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).