4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine

C10H19NOS — CID 117227940

IUPAC4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine
SMILESCC1(C)COC(C2CCCCS2)N1
InChIInChI=1S/C10H19NOS/c1-10(2)7-12-9(11-10)8-5-3-4-6-13-8/h8-9,11H,3-7H2,1-2H3
InChIKeyJJAUAEMSQQXAAS-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.00
Rot. Bonds1

About 4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine

4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine (PubChem CID 117227940) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine
PubChem CID117227940
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine
SMILESCC1(C)COC(C2CCCCS2)N1
InChIInChI=1S/C10H19NOS/c1-10(2)7-12-9(11-10)8-5-3-4-6-13-8/h8-9,11H,3-7H2,1-2H3
InChIKeyJJAUAEMSQQXAAS-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226442
(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 139225414
(2R)-2-[(2S)-4,4-dimethyl-1,3-oxazolidin-2-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139225415
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227603
2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
CID 117227876
3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 43366931
2-(thiolan-2-yl)-1,3-oxazolidine
CID 117225672
4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227911
2,4,4-trimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228055
5,5-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazinane
CID 117226611
4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227855

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine?
The IUPAC name of 4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine (CID 117227940) is 4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine?
The canonical SMILES for 4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine is CC1(C)COC(C2CCCCS2)N1.
What is the InChIKey of 4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine?
The InChIKey is JJAUAEMSQQXAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-10(2)7-12-9(11-10)8-5-3-4-6-13-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine?
4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine has a molecular weight of 201.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 117227940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).