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

C11H21N3OS — CID 62579913

IUPAC4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine
SMILESCc1nnc(SCCNCCCC(C)C)o1
InChIInChI=1S/C11H21N3OS/c1-9(2)5-4-6-12-7-8-16-11-14-13-10(3)15-11/h9,12H,4-8H2,1-3H3
InChIKeyWNUIPCXKJKPFCT-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.50
Rot. Bonds8

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

4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine (PubChem CID 62579913) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine
PubChem CID62579913
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine
SMILESCc1nnc(SCCNCCCC(C)C)o1
InChIInChI=1S/C11H21N3OS/c1-9(2)5-4-6-12-7-8-16-11-14-13-10(3)15-11/h9,12H,4-8H2,1-3H3
InChIKeyWNUIPCXKJKPFCT-UHFFFAOYSA-N
XLogP2.50
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.50
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 4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine (CID 62579913) is 4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine is Cc1nnc(SCCNCCCC(C)C)o1.
What is the InChIKey of 4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine?
The InChIKey is WNUIPCXKJKPFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(2)5-4-6-12-7-8-16-11-14-13-10(3)15-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine?
4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine has a molecular weight of 243.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine is sourced from PubChem (CID 62579913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).