4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride

C10H20ClNOS — CID 117227715

IUPAC4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(CC2CCSC2)N1.Cl
InChIInChI=1S/C10H19NOS.ClH/c1-10(2)7-12-9(11-10)5-8-3-4-13-6-8;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyWDKVALQYLFRFDU-UHFFFAOYSA-N
MW237.80 g/mol
LogP2.28
Rot. Bonds2

About 4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride

4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227715) has the molecular formula C10H20ClNOS and a molecular weight of 237.80 g/mol. Its IUPAC name is 4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
PubChem CID117227715
Molecular FormulaC10H20ClNOS
Molecular Weight237.80 g/mol
Exact Mass237.10
IUPAC Name4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(CC2CCSC2)N1.Cl
InChIInChI=1S/C10H19NOS.ClH/c1-10(2)7-12-9(11-10)5-8-3-4-13-6-8;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyWDKVALQYLFRFDU-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227725
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117227797
4,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227603
2-(thiolan-3-ylmethyl)-1,3-oxazinane
CID 117225889
2-methyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine
CID 117227291
5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
CID 117226361
4,4-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228610
2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227607
(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-(thiolan-3-ylmethyl)pyrrolidine
CID 82653355
3-(2,2-dimethylpropyl)thiolane
CID 58797584

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride (CID 117227715) is 4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride is CC1(C)COC(CC2CCSC2)N1.Cl.
What is the InChIKey of 4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The InChIKey is WDKVALQYLFRFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS.ClH/c1-10(2)7-12-9(11-10)5-8-3-4-13-6-8;/h8-9,11H,3-7H2,1-2H3;1H.
What are the key properties of 4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride has a molecular weight of 237.80 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).