4,4,5,6,6-pentamethyl-1,5-thiazocane

C11H23NS — CID 126620956

IUPAC4,4,5,6,6-pentamethyl-1,5-thiazocane
SMILESCN1C(C)(C)CCSCCC1(C)C
InChIInChI=1S/C11H23NS/c1-10(2)6-8-13-9-7-11(3,4)12(10)5/h6-9H2,1-5H3
InChIKeyBKEYRDGQTCZUPE-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.00
Rot. Bonds

About 4,4,5,6,6-pentamethyl-1,5-thiazocane

4,4,5,6,6-pentamethyl-1,5-thiazocane (PubChem CID 126620956) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4,4,5,6,6-pentamethyl-1,5-thiazocane.

Molecular Properties

Compound Name4,4,5,6,6-pentamethyl-1,5-thiazocane
PubChem CID126620956
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4,4,5,6,6-pentamethyl-1,5-thiazocane
SMILESCN1C(C)(C)CCSCCC1(C)C
InChIInChI=1S/C11H23NS/c1-10(2)6-8-13-9-7-11(3,4)12(10)5/h6-9H2,1-5H3
InChIKeyBKEYRDGQTCZUPE-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,6,6-pentamethyl-1,5-thiazocane?
The IUPAC name of 4,4,5,6,6-pentamethyl-1,5-thiazocane (CID 126620956) is 4,4,5,6,6-pentamethyl-1,5-thiazocane.
What is the SMILES notation for 4,4,5,6,6-pentamethyl-1,5-thiazocane?
The canonical SMILES for 4,4,5,6,6-pentamethyl-1,5-thiazocane is CN1C(C)(C)CCSCCC1(C)C.
What is the InChIKey of 4,4,5,6,6-pentamethyl-1,5-thiazocane?
The InChIKey is BKEYRDGQTCZUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2)6-8-13-9-7-11(3,4)12(10)5/h6-9H2,1-5H3.
What are the key properties of 4,4,5,6,6-pentamethyl-1,5-thiazocane?
4,4,5,6,6-pentamethyl-1,5-thiazocane has a molecular weight of 201.38 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6,6-pentamethyl-1,5-thiazocane is sourced from PubChem (CID 126620956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).