5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine

C8H17NOS — CID 22160872

IUPAC5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine
SMILESCCSCC1CNC(C)(C)O1
InChIInChI=1S/C8H17NOS/c1-4-11-6-7-5-9-8(2,3)10-7/h7,9H,4-6H2,1-3H3
InChIKeyDGEDAVCMPSTFSW-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.46
Rot. Bonds3

About 5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine

5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine (PubChem CID 22160872) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine
PubChem CID22160872
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine
SMILESCCSCC1CNC(C)(C)O1
InChIInChI=1S/C8H17NOS/c1-4-11-6-7-5-9-8(2,3)10-7/h7,9H,4-6H2,1-3H3
InChIKeyDGEDAVCMPSTFSW-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of 5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine (CID 22160872) is 5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for 5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine is CCSCC1CNC(C)(C)O1.
What is the InChIKey of 5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine?
The InChIKey is DGEDAVCMPSTFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-4-11-6-7-5-9-8(2,3)10-7/h7,9H,4-6H2,1-3H3.
What are the key properties of 5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine?
5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine has a molecular weight of 175.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 22160872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).