4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine

C19H29NOS — CID 138514790

IUPAC4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine
SMILESC=C(CC(C)c1ccc(OCC(C)C)cc1)N1CCSCC1
InChIInChI=1S/C19H29NOS/c1-15(2)14-21-19-7-5-18(6-8-19)16(3)13-17(4)20-9-11-22-12-10-20/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyBYMUUWQAKZBSKT-UHFFFAOYSA-N
MW319.51 g/mol
LogP4.78
Rot. Bonds7

About 4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine

4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine (PubChem CID 138514790) has the molecular formula C19H29NOS and a molecular weight of 319.51 g/mol. Its IUPAC name is 4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine
PubChem CID138514790
Molecular FormulaC19H29NOS
Molecular Weight319.51 g/mol
Exact Mass319.20
IUPAC Name4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine
SMILESC=C(CC(C)c1ccc(OCC(C)C)cc1)N1CCSCC1
InChIInChI=1S/C19H29NOS/c1-15(2)14-21-19-7-5-18(6-8-19)16(3)13-17(4)20-9-11-22-12-10-20/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyBYMUUWQAKZBSKT-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-[4-(2-methylpropoxy)phenyl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806309
3-(4-aminophenyl)-1-thiomorpholin-4-ylbutan-1-one
CID 104502088
N-[[3-(2-methylpropoxy)phenyl]methyl]thiomorpholine-4-carboxamide
CID 60580826
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
CID 124847644
N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111818403
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
(3R)-3-amino-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 776432
3-[4-(2-methylprop-2-enoxy)phenyl]butanoic acid
CID 83970856
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine?
The IUPAC name of 4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine (CID 138514790) is 4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine.
What is the SMILES notation for 4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine?
The canonical SMILES for 4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine is C=C(CC(C)c1ccc(OCC(C)C)cc1)N1CCSCC1.
What is the InChIKey of 4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine?
The InChIKey is BYMUUWQAKZBSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NOS/c1-15(2)14-21-19-7-5-18(6-8-19)16(3)13-17(4)20-9-11-22-12-10-20/h5-8,15-16H,4,9-14H2,1-3H3.
What are the key properties of 4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine?
4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine has a molecular weight of 319.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-methylpropoxy)phenyl]pent-1-en-2-yl]thiomorpholine is sourced from PubChem (CID 138514790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).