2-[4-(2-methylpropoxy)phenyl]thiomorpholine

C14H21NOS — CID 82297938

IUPAC2-[4-(2-methylpropoxy)phenyl]thiomorpholine
SMILESCC(C)COc1ccc(C2CNCCS2)cc1
InChIInChI=1S/C14H21NOS/c1-11(2)10-16-13-5-3-12(4-6-13)14-9-15-7-8-17-14/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyCNCJJPAPWWMQFB-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.10
Rot. Bonds4

About 2-[4-(2-methylpropoxy)phenyl]thiomorpholine

2-[4-(2-methylpropoxy)phenyl]thiomorpholine (PubChem CID 82297938) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)phenyl]thiomorpholine.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)phenyl]thiomorpholine
PubChem CID82297938
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-[4-(2-methylpropoxy)phenyl]thiomorpholine
SMILESCC(C)COc1ccc(C2CNCCS2)cc1
InChIInChI=1S/C14H21NOS/c1-11(2)10-16-13-5-3-12(4-6-13)14-9-15-7-8-17-14/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyCNCJJPAPWWMQFB-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropoxy)phenyl]piperazine
CID 82290919
5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine
CID 82472844
2-[4-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131626
3-[4-(2-methylpropoxy)phenyl]morpholine
CID 82291237
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide
CID 119451190
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-piperidin-3-ylpropanamide
CID 119426016
3-[(4-fluorophenyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]-6-pyrrolidin-3-ylpyridin-2-amine
CID 175912374
2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol
CID 117237470
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperazine
CID 82263292
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
6-ethoxy-1-[4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 4690847
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)phenyl]thiomorpholine?
The IUPAC name of 2-[4-(2-methylpropoxy)phenyl]thiomorpholine (CID 82297938) is 2-[4-(2-methylpropoxy)phenyl]thiomorpholine.
What is the SMILES notation for 2-[4-(2-methylpropoxy)phenyl]thiomorpholine?
The canonical SMILES for 2-[4-(2-methylpropoxy)phenyl]thiomorpholine is CC(C)COc1ccc(C2CNCCS2)cc1.
What is the InChIKey of 2-[4-(2-methylpropoxy)phenyl]thiomorpholine?
The InChIKey is CNCJJPAPWWMQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(2)10-16-13-5-3-12(4-6-13)14-9-15-7-8-17-14/h3-6,11,14-15H,7-10H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropoxy)phenyl]thiomorpholine?
2-[4-(2-methylpropoxy)phenyl]thiomorpholine has a molecular weight of 251.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)phenyl]thiomorpholine is sourced from PubChem (CID 82297938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).