2-(thiolan-2-ylmethyl)-1,3-oxazinane

C9H17NOS — CID 117225958

IUPAC2-(thiolan-2-ylmethyl)-1,3-oxazinane
SMILESC1CNC(CC2CCCS2)OC1
InChIInChI=1S/C9H17NOS/c1-3-8(12-6-1)7-9-10-4-2-5-11-9/h8-10H,1-7H2
InChIKeyBUWQZGIWXIGLME-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.61
Rot. Bonds2

About 2-(thiolan-2-ylmethyl)-1,3-oxazinane

2-(thiolan-2-ylmethyl)-1,3-oxazinane (PubChem CID 117225958) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-(thiolan-2-ylmethyl)-1,3-oxazinane.

Molecular Properties

Compound Name2-(thiolan-2-ylmethyl)-1,3-oxazinane
PubChem CID117225958
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-(thiolan-2-ylmethyl)-1,3-oxazinane
SMILESC1CNC(CC2CCCS2)OC1
InChIInChI=1S/C9H17NOS/c1-3-8(12-6-1)7-9-10-4-2-5-11-9/h8-10H,1-7H2
InChIKeyBUWQZGIWXIGLME-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiolan-3-ylmethyl)-1,3-oxazinane
CID 117225889
2-(piperidin-2-ylmethyl)-1,3-oxazinane;hydrochloride
CID 117225973
5,5-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazinane
CID 117226611
2-(oxolan-3-ylmethyl)-1,3-oxazinane
CID 117225885
(2S)-2-(cyclohexylmethyl)thiolane
CID 132938767
2-(cyclooctylmethyl)thiolane
CID 163438638
2-(2-methylpropyl)-1,3-oxazinane
CID 14342983
silane;2-(thiepan-2-ylmethyl)thiepane
CID 173274249
6-(thiolan-2-ylmethyl)morpholin-3-one
CID 117159101
(2R)-2-ethylthiolane
CID 643409
2-(oxan-4-ylmethyl)-1,3-oxazolidine
CID 117225640
2-(thiolan-2-yl)-1,3-oxazolidine
CID 117225672

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-ylmethyl)-1,3-oxazinane?
The IUPAC name of 2-(thiolan-2-ylmethyl)-1,3-oxazinane (CID 117225958) is 2-(thiolan-2-ylmethyl)-1,3-oxazinane.
What is the SMILES notation for 2-(thiolan-2-ylmethyl)-1,3-oxazinane?
The canonical SMILES for 2-(thiolan-2-ylmethyl)-1,3-oxazinane is C1CNC(CC2CCCS2)OC1.
What is the InChIKey of 2-(thiolan-2-ylmethyl)-1,3-oxazinane?
The InChIKey is BUWQZGIWXIGLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-3-8(12-6-1)7-9-10-4-2-5-11-9/h8-10H,1-7H2.
What are the key properties of 2-(thiolan-2-ylmethyl)-1,3-oxazinane?
2-(thiolan-2-ylmethyl)-1,3-oxazinane has a molecular weight of 187.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-ylmethyl)-1,3-oxazinane is sourced from PubChem (CID 117225958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).