3,4-dimethyl-2-phenylthiomorpholine

C12H17NS — CID 559069

IUPAC3,4-dimethyl-2-phenylthiomorpholine
SMILESCC1C(c2ccccc2)SCCN1C
InChIInChI=1S/C12H17NS/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyDSXDFPCKHIDOTD-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.79
Rot. Bonds1

About 3,4-dimethyl-2-phenylthiomorpholine

3,4-dimethyl-2-phenylthiomorpholine (PubChem CID 559069) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 3,4-dimethyl-2-phenylthiomorpholine.

Molecular Properties

Compound Name3,4-dimethyl-2-phenylthiomorpholine
PubChem CID559069
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name3,4-dimethyl-2-phenylthiomorpholine
SMILESCC1C(c2ccccc2)SCCN1C
InChIInChI=1S/C12H17NS/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyDSXDFPCKHIDOTD-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-phenylthiomorpholine?
The IUPAC name of 3,4-dimethyl-2-phenylthiomorpholine (CID 559069) is 3,4-dimethyl-2-phenylthiomorpholine.
What is the SMILES notation for 3,4-dimethyl-2-phenylthiomorpholine?
The canonical SMILES for 3,4-dimethyl-2-phenylthiomorpholine is CC1C(c2ccccc2)SCCN1C.
What is the InChIKey of 3,4-dimethyl-2-phenylthiomorpholine?
The InChIKey is DSXDFPCKHIDOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-2-phenylthiomorpholine?
3,4-dimethyl-2-phenylthiomorpholine has a molecular weight of 207.34 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-phenylthiomorpholine is sourced from PubChem (CID 559069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).