6-methyl-2-(oxolan-3-yl)-1,3-thiazinane

C9H17NOS — CID 66224217

IUPAC6-methyl-2-(oxolan-3-yl)-1,3-thiazinane
SMILESCC1CCNC(C2CCOC2)S1
InChIInChI=1S/C9H17NOS/c1-7-2-4-10-9(12-7)8-3-5-11-6-8/h7-10H,2-6H2,1H3
InChIKeyFUMCGSDDUOMQDQ-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.46
Rot. Bonds1

About 6-methyl-2-(oxolan-3-yl)-1,3-thiazinane

6-methyl-2-(oxolan-3-yl)-1,3-thiazinane (PubChem CID 66224217) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-3-yl)-1,3-thiazinane.

Molecular Properties

Compound Name6-methyl-2-(oxolan-3-yl)-1,3-thiazinane
PubChem CID66224217
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name6-methyl-2-(oxolan-3-yl)-1,3-thiazinane
SMILESCC1CCNC(C2CCOC2)S1
InChIInChI=1S/C9H17NOS/c1-7-2-4-10-9(12-7)8-3-5-11-6-8/h7-10H,2-6H2,1H3
InChIKeyFUMCGSDDUOMQDQ-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-3-yl)-1,3-thiazinane?
The IUPAC name of 6-methyl-2-(oxolan-3-yl)-1,3-thiazinane (CID 66224217) is 6-methyl-2-(oxolan-3-yl)-1,3-thiazinane.
What is the SMILES notation for 6-methyl-2-(oxolan-3-yl)-1,3-thiazinane?
The canonical SMILES for 6-methyl-2-(oxolan-3-yl)-1,3-thiazinane is CC1CCNC(C2CCOC2)S1.
What is the InChIKey of 6-methyl-2-(oxolan-3-yl)-1,3-thiazinane?
The InChIKey is FUMCGSDDUOMQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-7-2-4-10-9(12-7)8-3-5-11-6-8/h7-10H,2-6H2,1H3.
What are the key properties of 6-methyl-2-(oxolan-3-yl)-1,3-thiazinane?
6-methyl-2-(oxolan-3-yl)-1,3-thiazinane has a molecular weight of 187.31 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-3-yl)-1,3-thiazinane is sourced from PubChem (CID 66224217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).