5-methyl-1,5-thiazocane

C7H15NS — CID 560574

IUPAC5-methyl-1,5-thiazocane
SMILESCN1CCCSCCC1
InChIInChI=1S/C7H15NS/c1-8-4-2-6-9-7-3-5-8/h2-7H2,1H3
InChIKeySFNHCMMZTDBFFL-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.45
Rot. Bonds

About 5-methyl-1,5-thiazocane

5-methyl-1,5-thiazocane (PubChem CID 560574) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 5-methyl-1,5-thiazocane.

Molecular Properties

Compound Name5-methyl-1,5-thiazocane
PubChem CID560574
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name5-methyl-1,5-thiazocane
SMILESCN1CCCSCCC1
InChIInChI=1S/C7H15NS/c1-8-4-2-6-9-7-3-5-8/h2-7H2,1H3
InChIKeySFNHCMMZTDBFFL-UHFFFAOYSA-N
XLogP1.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,5-thiazocane?
The IUPAC name of 5-methyl-1,5-thiazocane (CID 560574) is 5-methyl-1,5-thiazocane.
What is the SMILES notation for 5-methyl-1,5-thiazocane?
The canonical SMILES for 5-methyl-1,5-thiazocane is CN1CCCSCCC1.
What is the InChIKey of 5-methyl-1,5-thiazocane?
The InChIKey is SFNHCMMZTDBFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-8-4-2-6-9-7-3-5-8/h2-7H2,1H3.
What are the key properties of 5-methyl-1,5-thiazocane?
5-methyl-1,5-thiazocane has a molecular weight of 145.27 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,5-thiazocane is sourced from PubChem (CID 560574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).