2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine

C10H19NOS — CID 117227333

IUPAC2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
SMILESCC1(CC2CCCCS2)NCCO1
InChIInChI=1S/C10H19NOS/c1-10(11-5-6-12-10)8-9-4-2-3-7-13-9/h9,11H,2-8H2,1H3
InChIKeyZWKQTVUSMNYLJX-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.00
Rot. Bonds2

About 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine

2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine (PubChem CID 117227333) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
PubChem CID117227333
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
SMILESCC1(CC2CCCCS2)NCCO1
InChIInChI=1S/C10H19NOS/c1-10(11-5-6-12-10)8-9-4-2-3-7-13-9/h9,11H,2-8H2,1H3
InChIKeyZWKQTVUSMNYLJX-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine?
The IUPAC name of 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine (CID 117227333) is 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine is CC1(CC2CCCCS2)NCCO1.
What is the InChIKey of 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine?
The InChIKey is ZWKQTVUSMNYLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-10(11-5-6-12-10)8-9-4-2-3-7-13-9/h9,11H,2-8H2,1H3.
What are the key properties of 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine?
2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine has a molecular weight of 201.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 117227333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).