5-butyl-1,5-thiazocane

C10H21NS — CID 91413826

IUPAC5-butyl-1,5-thiazocane
SMILESCCCCN1CCCSCCC1
InChIInChI=1S/C10H21NS/c1-2-3-6-11-7-4-9-12-10-5-8-11/h2-10H2,1H3
InChIKeyISAOYYJSSUPCLA-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.62
Rot. Bonds3

About 5-butyl-1,5-thiazocane

5-butyl-1,5-thiazocane (PubChem CID 91413826) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 5-butyl-1,5-thiazocane.

Molecular Properties

Compound Name5-butyl-1,5-thiazocane
PubChem CID91413826
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name5-butyl-1,5-thiazocane
SMILESCCCCN1CCCSCCC1
InChIInChI=1S/C10H21NS/c1-2-3-6-11-7-4-9-12-10-5-8-11/h2-10H2,1H3
InChIKeyISAOYYJSSUPCLA-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,5-thiazocane?
The IUPAC name of 5-butyl-1,5-thiazocane (CID 91413826) is 5-butyl-1,5-thiazocane.
What is the SMILES notation for 5-butyl-1,5-thiazocane?
The canonical SMILES for 5-butyl-1,5-thiazocane is CCCCN1CCCSCCC1.
What is the InChIKey of 5-butyl-1,5-thiazocane?
The InChIKey is ISAOYYJSSUPCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-2-3-6-11-7-4-9-12-10-5-8-11/h2-10H2,1H3.
What are the key properties of 5-butyl-1,5-thiazocane?
5-butyl-1,5-thiazocane has a molecular weight of 187.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,5-thiazocane is sourced from PubChem (CID 91413826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).