4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine

C14H21NS — CID 169008725

IUPAC4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine
SMILESCC(C)c1ccc(C2CN(C)CCS2)cc1
InChIInChI=1S/C14H21NS/c1-11(2)12-4-6-13(7-5-12)14-10-15(3)8-9-16-14/h4-7,11,14H,8-10H2,1-3H3
InChIKeyGQWRPMOPOQWPDL-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.53
Rot. Bonds2

About 4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine

4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine (PubChem CID 169008725) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine.

Molecular Properties

Compound Name4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine
PubChem CID169008725
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine
SMILESCC(C)c1ccc(C2CN(C)CCS2)cc1
InChIInChI=1S/C14H21NS/c1-11(2)12-4-6-13(7-5-12)14-10-15(3)8-9-16-14/h4-7,11,14H,8-10H2,1-3H3
InChIKeyGQWRPMOPOQWPDL-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine?
The IUPAC name of 4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine (CID 169008725) is 4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine.
What is the SMILES notation for 4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine?
The canonical SMILES for 4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine is CC(C)c1ccc(C2CN(C)CCS2)cc1.
What is the InChIKey of 4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine?
The InChIKey is GQWRPMOPOQWPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11(2)12-4-6-13(7-5-12)14-10-15(3)8-9-16-14/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine?
4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine has a molecular weight of 235.40 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propan-2-ylphenyl)thiomorpholine is sourced from PubChem (CID 169008725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).