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

C8H17NOS — CID 18343173

IUPAC4-tert-butyl-1,4-thiazinane 1-oxide
SMILESCC(C)(C)N1CCS(=O)CC1
InChIInChI=1S/C8H17NOS/c1-8(2,3)9-4-6-11(10)7-5-9/h4-7H2,1-3H3
InChIKeyHIHUNVNDVDKSRO-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds

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

4-tert-butyl-1,4-thiazinane 1-oxide (PubChem CID 18343173) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 4-tert-butyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-tert-butyl-1,4-thiazinane 1-oxide
PubChem CID18343173
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name4-tert-butyl-1,4-thiazinane 1-oxide
SMILESCC(C)(C)N1CCS(=O)CC1
InChIInChI=1S/C8H17NOS/c1-8(2,3)9-4-6-11(10)7-5-9/h4-7H2,1-3H3
InChIKeyHIHUNVNDVDKSRO-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-tert-butyl-1,4-thiazinane 1-oxide (CID 18343173) is 4-tert-butyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-tert-butyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-tert-butyl-1,4-thiazinane 1-oxide is CC(C)(C)N1CCS(=O)CC1.
What is the InChIKey of 4-tert-butyl-1,4-thiazinane 1-oxide?
The InChIKey is HIHUNVNDVDKSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2,3)9-4-6-11(10)7-5-9/h4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1,4-thiazinane 1-oxide?
4-tert-butyl-1,4-thiazinane 1-oxide has a molecular weight of 175.30 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 18343173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).