4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide

C9H17NOS — CID 130891121

IUPAC4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide
SMILESCC1CN(C2CCC2)CCS1=O
InChIInChI=1S/C9H17NOS/c1-8-7-10(5-6-12(8)11)9-3-2-4-9/h8-9H,2-7H2,1H3
InChIKeyMLXYSCQCXIWFPC-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.99
Rot. Bonds1

About 4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide

4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide (PubChem CID 130891121) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide
PubChem CID130891121
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide
SMILESCC1CN(C2CCC2)CCS1=O
InChIInChI=1S/C9H17NOS/c1-8-7-10(5-6-12(8)11)9-3-2-4-9/h8-9H,2-7H2,1H3
InChIKeyMLXYSCQCXIWFPC-UHFFFAOYSA-N
XLogP0.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide (CID 130891121) is 4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide is CC1CN(C2CCC2)CCS1=O.
What is the InChIKey of 4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide?
The InChIKey is MLXYSCQCXIWFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-8-7-10(5-6-12(8)11)9-3-2-4-9/h8-9H,2-7H2,1H3.
What are the key properties of 4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide?
4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide has a molecular weight of 187.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130891121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).