1-imino-4,4,6,6-tetramethylthiocane 1-oxide

C11H23NOS — CID 122692152

IUPAC1-imino-4,4,6,6-tetramethylthiocane 1-oxide
SMILES[H]N=S1(=O)CCC(C)(C)CC(C)(C)CC1
InChIInChI=1S/C11H23NOS/c1-10(2)5-7-14(12,13)8-6-11(3,4)9-10/h12H,5-9H2,1-4H3
InChIKeyNOQMEZSKBUAOOH-UHFFFAOYSA-N
MW217.38 g/mol
LogP3.27
Rot. Bonds

About 1-imino-4,4,6,6-tetramethylthiocane 1-oxide

1-imino-4,4,6,6-tetramethylthiocane 1-oxide (PubChem CID 122692152) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-imino-4,4,6,6-tetramethylthiocane 1-oxide.

Molecular Properties

Compound Name1-imino-4,4,6,6-tetramethylthiocane 1-oxide
PubChem CID122692152
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-imino-4,4,6,6-tetramethylthiocane 1-oxide
SMILES[H]N=S1(=O)CCC(C)(C)CC(C)(C)CC1
InChIInChI=1S/C11H23NOS/c1-10(2)5-7-14(12,13)8-6-11(3,4)9-10/h12H,5-9H2,1-4H3
InChIKeyNOQMEZSKBUAOOH-UHFFFAOYSA-N
XLogP3.27
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-imino-4,4,6,6-tetramethylthiocane 1-oxide?
The IUPAC name of 1-imino-4,4,6,6-tetramethylthiocane 1-oxide (CID 122692152) is 1-imino-4,4,6,6-tetramethylthiocane 1-oxide.
What is the SMILES notation for 1-imino-4,4,6,6-tetramethylthiocane 1-oxide?
The canonical SMILES for 1-imino-4,4,6,6-tetramethylthiocane 1-oxide is [H]N=S1(=O)CCC(C)(C)CC(C)(C)CC1.
What is the InChIKey of 1-imino-4,4,6,6-tetramethylthiocane 1-oxide?
The InChIKey is NOQMEZSKBUAOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(2)5-7-14(12,13)8-6-11(3,4)9-10/h12H,5-9H2,1-4H3.
What are the key properties of 1-imino-4,4,6,6-tetramethylthiocane 1-oxide?
1-imino-4,4,6,6-tetramethylthiocane 1-oxide has a molecular weight of 217.38 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-4,4,6,6-tetramethylthiocane 1-oxide is sourced from PubChem (CID 122692152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).