[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone

C22H28N2O3S — CID 69069513

IUPAC[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc2cc(OCCCN3CCOCC3)ccc2c1)N1CCSCC1
InChIInChI=1S/C22H28N2O3S/c25-22(24-9-14-28-15-10-24)20-3-2-19-17-21(5-4-18(19)16-20)27-11-1-6-23-7-12-26-13-8-23/h2-5,16-17H,1,6-15H2
InChIKeyGGHKZRHORRKEQH-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.13
Rot. Bonds6

About [6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone

[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 69069513) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is [6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID69069513
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc2cc(OCCCN3CCOCC3)ccc2c1)N1CCSCC1
InChIInChI=1S/C22H28N2O3S/c25-22(24-9-14-28-15-10-24)20-3-2-19-17-21(5-4-18(19)16-20)27-11-1-6-23-7-12-26-13-8-23/h2-5,16-17H,1,6-15H2
InChIKeyGGHKZRHORRKEQH-UHFFFAOYSA-N
XLogP3.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11516523
[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10389448
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
CID 69068726
4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine
CID 153402706
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
benzo[b][1]benzazepin-11-yl-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
CID 162650885
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066

Frequently Asked Questions

What is the IUPAC name of [6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone (CID 69069513) is [6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone is O=C(c1ccc2cc(OCCCN3CCOCC3)ccc2c1)N1CCSCC1.
What is the InChIKey of [6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is GGHKZRHORRKEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c25-22(24-9-14-28-15-10-24)20-3-2-19-17-21(5-4-18(19)16-20)27-11-1-6-23-7-12-26-13-8-23/h2-5,16-17H,1,6-15H2.
What are the key properties of [6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone?
[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 400.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 69069513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).