5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine

C10H19NOS — CID 117228790

IUPAC5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine
SMILESCC1(C)CNC(C2CCCSC2)O1
InChIInChI=1S/C10H19NOS/c1-10(2)7-11-9(12-10)8-4-3-5-13-6-8/h8-9,11H,3-7H2,1-2H3
InChIKeyXGJWIBLUPFDISD-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.85
Rot. Bonds1

About 5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine

5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine (PubChem CID 117228790) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine
PubChem CID117228790
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine
SMILESCC1(C)CNC(C2CCCSC2)O1
InChIInChI=1S/C10H19NOS/c1-10(2)7-11-9(12-10)8-4-3-5-13-6-8/h8-9,11H,3-7H2,1-2H3
InChIKeyXGJWIBLUPFDISD-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-5,5-dimethyl-1,3-oxazolidine
CID 117229147
3,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[c]thiepine
CID 118209764
3-cyclopropylthiane
CID 57306935
4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227603
4-(thian-3-yl)piperidine
CID 82602229
2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 65101979
2-cyclobutyl-5,5-dimethyl-1,3-oxazinane
CID 117227173
3-methyl-3-(thian-3-yl)pyrrolidine
CID 105441904
2-cyclobutyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227172
3-thia-10-azabicyclo[6.2.0]decane
CID 118210468
2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine
CID 117228931
(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran
CID 22215290

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine?
The IUPAC name of 5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine (CID 117228790) is 5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine.
What is the SMILES notation for 5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine?
The canonical SMILES for 5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine is CC1(C)CNC(C2CCCSC2)O1.
What is the InChIKey of 5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine?
The InChIKey is XGJWIBLUPFDISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-10(2)7-11-9(12-10)8-4-3-5-13-6-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine?
5,5-dimethyl-2-(thian-3-yl)-1,3-oxazolidine has a molecular weight of 201.33 g/mol, XLogP of 1.85, 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-(thian-3-yl)-1,3-oxazolidine is sourced from PubChem (CID 117228790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).