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

C14H21NS — CID 792753

IUPAC4-[(4-propan-2-ylphenyl)methyl]thiomorpholine
SMILESCC(C)c1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C14H21NS/c1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15/h3-6,12H,7-11H2,1-2H3
InChIKeyOMRDFYAADUYWGG-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.36
Rot. Bonds3

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

4-[(4-propan-2-ylphenyl)methyl]thiomorpholine (PubChem CID 792753) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methyl]thiomorpholine
PubChem CID792753
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name4-[(4-propan-2-ylphenyl)methyl]thiomorpholine
SMILESCC(C)c1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C14H21NS/c1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15/h3-6,12H,7-11H2,1-2H3
InChIKeyOMRDFYAADUYWGG-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-(1-piperidinyl)propane
CID 210768
4-(4-Methylbenzyl)thiomorpholine
CID 785812
4-[3-(Trifluoromethyl)benzyl]thiomorpholine
CID 792495
4-(3-Methylbenzyl)thiomorpholine
CID 792738
4-(4-Ethylbenzyl)thiomorpholine
CID 792772
4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
1-Benzyl-4-methylpiperidine
CID 3966943
4-[(4-Methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2815708
4-(2,5-Dimethylbenzyl)thiomorpholine
CID 1377102
4-[4-(Methylthio)benzyl]thiomorpholine
CID 1377280
4-[4-[4-(Piperidin-1-ylmethyl)phenyl]but-3-ynyl]thiomorpholine
CID 10308670
4-Methyl-1-(2-methyl-benzyl)-piperidine
CID 22197665

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methyl]thiomorpholine (CID 792753) is 4-[(4-propan-2-ylphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methyl]thiomorpholine is CC(C)c1ccc(CN2CCSCC2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methyl]thiomorpholine?
The InChIKey is OMRDFYAADUYWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 4-[(4-propan-2-ylphenyl)methyl]thiomorpholine?
4-[(4-propan-2-ylphenyl)methyl]thiomorpholine has a molecular weight of 235.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methyl]thiomorpholine is sourced from PubChem (CID 792753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).