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

C8H17NOS — CID 12751703

IUPAC4-butyl-1,4-thiazinane 1-oxide
SMILESCCCCN1CCS(=O)CC1
InChIInChI=1S/C8H17NOS/c1-2-3-4-9-5-7-11(10)8-6-9/h2-8H2,1H3
InChIKeyYTKRHHWLIAMJIL-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds3

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

4-butyl-1,4-thiazinane 1-oxide (PubChem CID 12751703) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 4-butyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-butyl-1,4-thiazinane 1-oxide
PubChem CID12751703
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name4-butyl-1,4-thiazinane 1-oxide
SMILESCCCCN1CCS(=O)CC1
InChIInChI=1S/C8H17NOS/c1-2-3-4-9-5-7-11(10)8-6-9/h2-8H2,1H3
InChIKeyYTKRHHWLIAMJIL-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-butyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-butyl-1,4-thiazinane 1-oxide (CID 12751703) is 4-butyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-butyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-butyl-1,4-thiazinane 1-oxide is CCCCN1CCS(=O)CC1.
What is the InChIKey of 4-butyl-1,4-thiazinane 1-oxide?
The InChIKey is YTKRHHWLIAMJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-3-4-9-5-7-11(10)8-6-9/h2-8H2,1H3.
What are the key properties of 4-butyl-1,4-thiazinane 1-oxide?
4-butyl-1,4-thiazinane 1-oxide has a molecular weight of 175.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 12751703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).