cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone

C11H19NOS — CID 71930717

IUPACcyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone
SMILESCC1SCCN(C(=O)C2CCC2)C1C
InChIInChI=1S/C11H19NOS/c1-8-9(2)14-7-6-12(8)11(13)10-4-3-5-10/h8-10H,3-7H2,1-2H3
InChIKeySSPODGTZOLVENR-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.14
Rot. Bonds1

About cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone

cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone (PubChem CID 71930717) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone
PubChem CID71930717
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Namecyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone
SMILESCC1SCCN(C(=O)C2CCC2)C1C
InChIInChI=1S/C11H19NOS/c1-8-9(2)14-7-6-12(8)11(13)10-4-3-5-10/h8-10H,3-7H2,1-2H3
InChIKeySSPODGTZOLVENR-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone (CID 71930717) is cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone is CC1SCCN(C(=O)C2CCC2)C1C.
What is the InChIKey of cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is SSPODGTZOLVENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8-9(2)14-7-6-12(8)11(13)10-4-3-5-10/h8-10H,3-7H2,1-2H3.
What are the key properties of cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone?
cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 213.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 71930717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).