5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride

C10H20ClNOS — CID 117226442

IUPAC5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(C2CCCS2)OC1.Cl
InChIInChI=1S/C10H19NOS.ClH/c1-10(2)6-11-9(12-7-10)8-4-3-5-13-8;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyIFJXIZQKAAQNLG-UHFFFAOYSA-N
MW237.80 g/mol
LogP2.28
Rot. Bonds1

About 5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride

5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride (PubChem CID 117226442) has the molecular formula C10H20ClNOS and a molecular weight of 237.80 g/mol. Its IUPAC name is 5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride
PubChem CID117226442
Molecular FormulaC10H20ClNOS
Molecular Weight237.80 g/mol
Exact Mass237.10
IUPAC Name5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(C2CCCS2)OC1.Cl
InChIInChI=1S/C10H19NOS.ClH/c1-10(2)6-11-9(12-7-10)8-4-3-5-13-8;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyIFJXIZQKAAQNLG-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227172
4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227940
2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227188
2-cyclobutyl-5,5-dimethyl-1,3-oxazinane
CID 117227173
5,5-dimethyl-2-(oxolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226426
2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226470
2-(thiolan-2-yl)-1,3-oxazolidine
CID 117225672
4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide
CID 117226211
5,5-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazinane
CID 117226611
2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226246
4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227603
2,4,4-trimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228055

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride?
The IUPAC name of 5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride (CID 117226442) is 5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride?
The canonical SMILES for 5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride is CC1(C)CNC(C2CCCS2)OC1.Cl.
What is the InChIKey of 5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride?
The InChIKey is IFJXIZQKAAQNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS.ClH/c1-10(2)6-11-9(12-7-10)8-4-3-5-13-8;/h8-9,11H,3-7H2,1-2H3;1H.
What are the key properties of 5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride?
5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride has a molecular weight of 237.80 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).