(5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine

C10H17N3OS — CID 102629853

IUPAC(5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESNCc1nnc(SC2CCCCCC2)o1
InChIInChI=1S/C10H17N3OS/c11-7-9-12-13-10(14-9)15-8-5-3-1-2-4-6-8/h8H,1-7,11H2
InChIKeyXDIYQTRAUAMRLF-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.34
Rot. Bonds3

About (5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine

(5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 102629853) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID102629853
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESNCc1nnc(SC2CCCCCC2)o1
InChIInChI=1S/C10H17N3OS/c11-7-9-12-13-10(14-9)15-8-5-3-1-2-4-6-8/h8H,1-7,11H2
InChIKeyXDIYQTRAUAMRLF-UHFFFAOYSA-N
XLogP2.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of (5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine (CID 102629853) is (5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for (5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for (5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine is NCc1nnc(SC2CCCCCC2)o1.
What is the InChIKey of (5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is XDIYQTRAUAMRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-7-9-12-13-10(14-9)15-8-5-3-1-2-4-6-8/h8H,1-7,11H2.
What are the key properties of (5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
(5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 227.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 102629853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).