1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine

C10H17N3S — CID 118144730

IUPAC1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine
SMILESNC1(c2nncs2)CCCCCCC1
InChIInChI=1S/C10H17N3S/c11-10(9-13-12-8-14-9)6-4-2-1-3-5-7-10/h8H,1-7,11H2
InChIKeyVYFGYUGJYXESQM-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.44
Rot. Bonds1

About 1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine

1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine (PubChem CID 118144730) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine
PubChem CID118144730
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine
SMILESNC1(c2nncs2)CCCCCCC1
InChIInChI=1S/C10H17N3S/c11-10(9-13-12-8-14-9)6-4-2-1-3-5-7-10/h8H,1-7,11H2
InChIKeyVYFGYUGJYXESQM-UHFFFAOYSA-N
XLogP2.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3,4-Thiadiazol-2-yl)cycloheptan-1-amine
CID 123553381
3-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 130545612

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine?
The IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine (CID 118144730) is 1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine is NC1(c2nncs2)CCCCCCC1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine?
The InChIKey is VYFGYUGJYXESQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c11-10(9-13-12-8-14-9)6-4-2-1-3-5-7-10/h8H,1-7,11H2.
What are the key properties of 1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine?
1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-yl)cyclooctan-1-amine is sourced from PubChem (CID 118144730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).