1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide

C14H31NOS — CID 143917101

IUPAC1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide
SMILESCC1(C)CC(C)(C)CS(C)(C)(=O)NC(C)(C)C1
InChIInChI=1S/C14H31NOS/c1-12(2)9-13(3,4)11-17(7,8,16)15-14(5,6)10-12/h9-11H2,1-8H3,(H,15,16)
InChIKeyNHMLCQBHSSWLRF-UHFFFAOYSA-N
MW261.47 g/mol
LogP3.20
Rot. Bonds

About 1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide

1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide (PubChem CID 143917101) has the molecular formula C14H31NOS and a molecular weight of 261.47 g/mol. Its IUPAC name is 1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide.

Molecular Properties

Compound Name1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide
PubChem CID143917101
Molecular FormulaC14H31NOS
Molecular Weight261.47 g/mol
Exact Mass261.21
IUPAC Name1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide
SMILESCC1(C)CC(C)(C)CS(C)(C)(=O)NC(C)(C)C1
InChIInChI=1S/C14H31NOS/c1-12(2)9-13(3,4)11-17(7,8,16)15-14(5,6)10-12/h9-11H2,1-8H3,(H,15,16)
InChIKeyNHMLCQBHSSWLRF-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide?
The IUPAC name of 1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide (CID 143917101) is 1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide.
What is the SMILES notation for 1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide?
The canonical SMILES for 1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide is CC1(C)CC(C)(C)CS(C)(C)(=O)NC(C)(C)C1.
What is the InChIKey of 1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide?
The InChIKey is NHMLCQBHSSWLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NOS/c1-12(2)9-13(3,4)11-17(7,8,16)15-14(5,6)10-12/h9-11H2,1-8H3,(H,15,16).
What are the key properties of 1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide?
1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide has a molecular weight of 261.47 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,5,5,7,7-octamethylthiazocane 1-oxide is sourced from PubChem (CID 143917101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).