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

C11H19N3OS — CID 64633090

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine
SMILESCc1nnc(SC2CCCCCCC2N)o1
InChIInChI=1S/C11H19N3OS/c1-8-13-14-11(15-8)16-10-7-5-3-2-4-6-9(10)12/h9-10H,2-7,12H2,1H3
InChIKeyRHJMUJYZXKFNQQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.52
Rot. Bonds2

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine (PubChem CID 64633090) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine
PubChem CID64633090
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine
SMILESCc1nnc(SC2CCCCCCC2N)o1
InChIInChI=1S/C11H19N3OS/c1-8-13-14-11(15-8)16-10-7-5-3-2-4-6-9(10)12/h9-10H,2-7,12H2,1H3
InChIKeyRHJMUJYZXKFNQQ-UHFFFAOYSA-N
XLogP2.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine (CID 64633090) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine is Cc1nnc(SC2CCCCCCC2N)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine?
The InChIKey is RHJMUJYZXKFNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-13-14-11(15-8)16-10-7-5-3-2-4-6-9(10)12/h9-10H,2-7,12H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine is sourced from PubChem (CID 64633090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).