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

C9H17NOS — CID 117225889

IUPAC2-(thiolan-3-ylmethyl)-1,3-oxazinane
SMILESC1CNC(CC2CCSC2)OC1
InChIInChI=1S/C9H17NOS/c1-3-10-9(11-4-1)6-8-2-5-12-7-8/h8-10H,1-7H2
InChIKeySOJUBWMKCUMONY-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.47
Rot. Bonds2

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

2-(thiolan-3-ylmethyl)-1,3-oxazinane (PubChem CID 117225889) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-(thiolan-3-ylmethyl)-1,3-oxazinane.

Molecular Properties

Compound Name2-(thiolan-3-ylmethyl)-1,3-oxazinane
PubChem CID117225889
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-(thiolan-3-ylmethyl)-1,3-oxazinane
SMILESC1CNC(CC2CCSC2)OC1
InChIInChI=1S/C9H17NOS/c1-3-10-9(11-4-1)6-8-2-5-12-7-8/h8-10H,1-7H2
InChIKeySOJUBWMKCUMONY-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxan-4-yl)-1,3-thiazolidine
CID 62387035
2-Methoxy-4-(1-methylsulfanylethyl)piperidine
CID 167283918
N-(oxolan-3-ylmethyl)thian-4-amine
CID 60919433
N-(oxan-3-ylmethyl)thiolan-3-amine
CID 61019441
N-(oxolan-3-ylmethyl)thian-3-amine
CID 62871452
N-(cyclopentylmethyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 62989277
2-(oxan-4-ylsulfanyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62989463
3-[2-(Oxan-4-ylsulfanyl)ethyl]piperidine
CID 62990331
3-(Oxan-4-ylsulfanylmethyl)pyrrolidine
CID 62990333
4-(Oxan-4-ylsulfanylmethyl)piperidine
CID 62990871
3-(Oxan-4-ylsulfanylmethyl)piperidine
CID 62990872
N-(oxan-4-ylmethyl)thiolan-3-amine
CID 63725208

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylmethyl)-1,3-oxazinane?
The IUPAC name of 2-(thiolan-3-ylmethyl)-1,3-oxazinane (CID 117225889) is 2-(thiolan-3-ylmethyl)-1,3-oxazinane.
What is the SMILES notation for 2-(thiolan-3-ylmethyl)-1,3-oxazinane?
The canonical SMILES for 2-(thiolan-3-ylmethyl)-1,3-oxazinane is C1CNC(CC2CCSC2)OC1.
What is the InChIKey of 2-(thiolan-3-ylmethyl)-1,3-oxazinane?
The InChIKey is SOJUBWMKCUMONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-3-10-9(11-4-1)6-8-2-5-12-7-8/h8-10H,1-7H2.
What are the key properties of 2-(thiolan-3-ylmethyl)-1,3-oxazinane?
2-(thiolan-3-ylmethyl)-1,3-oxazinane has a molecular weight of 187.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylmethyl)-1,3-oxazinane is sourced from PubChem (CID 117225889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).