4-tert-butyl-1-imino-1,4-thiazinane 1-oxide

C8H18N2OS — CID 121307608

IUPAC4-tert-butyl-1-imino-1,4-thiazinane 1-oxide
SMILES[H]N=S1(=O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C8H18N2OS/c1-8(2,3)10-4-6-12(9,11)7-5-10/h9H,4-7H2,1-3H3
InChIKeyNDSMCHJYBMYFAQ-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.15
Rot. Bonds

About 4-tert-butyl-1-imino-1,4-thiazinane 1-oxide

4-tert-butyl-1-imino-1,4-thiazinane 1-oxide (PubChem CID 121307608) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 4-tert-butyl-1-imino-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-tert-butyl-1-imino-1,4-thiazinane 1-oxide
PubChem CID121307608
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name4-tert-butyl-1-imino-1,4-thiazinane 1-oxide
SMILES[H]N=S1(=O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C8H18N2OS/c1-8(2,3)10-4-6-12(9,11)7-5-10/h9H,4-7H2,1-3H3
InChIKeyNDSMCHJYBMYFAQ-UHFFFAOYSA-N
XLogP1.15
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-imino-1,4-thiazinane 1-oxide?
The IUPAC name of 4-tert-butyl-1-imino-1,4-thiazinane 1-oxide (CID 121307608) is 4-tert-butyl-1-imino-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-tert-butyl-1-imino-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-tert-butyl-1-imino-1,4-thiazinane 1-oxide is [H]N=S1(=O)CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-imino-1,4-thiazinane 1-oxide?
The InChIKey is NDSMCHJYBMYFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-8(2,3)10-4-6-12(9,11)7-5-10/h9H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1-imino-1,4-thiazinane 1-oxide?
4-tert-butyl-1-imino-1,4-thiazinane 1-oxide has a molecular weight of 190.31 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-imino-1,4-thiazinane 1-oxide is sourced from PubChem (CID 121307608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).