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

C10H19N3OS — CID 62579543

IUPAC2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine
SMILESCc1nnc(SCCCNCC(C)C)o1
InChIInChI=1S/C10H19N3OS/c1-8(2)7-11-5-4-6-15-10-13-12-9(3)14-10/h8,11H,4-7H2,1-3H3
InChIKeyGZLPWXWVEBTFOC-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.11
Rot. Bonds7

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

2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine (PubChem CID 62579543) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine
PubChem CID62579543
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine
SMILESCc1nnc(SCCCNCC(C)C)o1
InChIInChI=1S/C10H19N3OS/c1-8(2)7-11-5-4-6-15-10-13-12-9(3)14-10/h8,11H,4-7H2,1-3H3
InChIKeyGZLPWXWVEBTFOC-UHFFFAOYSA-N
XLogP2.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine (CID 62579543) is 2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine is Cc1nnc(SCCCNCC(C)C)o1.
What is the InChIKey of 2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine?
The InChIKey is GZLPWXWVEBTFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(2)7-11-5-4-6-15-10-13-12-9(3)14-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine?
2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine is sourced from PubChem (CID 62579543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).