3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide

C8H17NOS — CID 79395202

IUPAC3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CC(C(C)C)N1
InChIInChI=1S/C8H17NOS/c1-6(2)8-5-11(10)4-7(3)9-8/h6-9H,4-5H2,1-3H3
InChIKeyLHWWJCRDCKOXET-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.75
Rot. Bonds1

About 3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide

3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide (PubChem CID 79395202) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide
PubChem CID79395202
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CC(C(C)C)N1
InChIInChI=1S/C8H17NOS/c1-6(2)8-5-11(10)4-7(3)9-8/h6-9H,4-5H2,1-3H3
InChIKeyLHWWJCRDCKOXET-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide (CID 79395202) is 3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide is CC1CS(=O)CC(C(C)C)N1.
What is the InChIKey of 3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide?
The InChIKey is LHWWJCRDCKOXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6(2)8-5-11(10)4-7(3)9-8/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide?
3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide has a molecular weight of 175.30 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 79395202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).