[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone

C22H28N2O2S — CID 69071505

IUPAC[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCSCC4)ccc3c2)C1
InChIInChI=1S/C22H28N2O2S/c1-16(2)24-8-7-21(15-24)26-20-6-5-17-13-19(4-3-18(17)14-20)22(25)23-9-11-27-12-10-23/h3-6,13-14,16,21H,7-12,15H2,1-2H3
InChIKeyAFVRMAIQFWJJHX-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.89
Rot. Bonds4

About [6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone

[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 69071505) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is [6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID69071505
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCSCC4)ccc3c2)C1
InChIInChI=1S/C22H28N2O2S/c1-16(2)24-8-7-21(15-24)26-20-6-5-17-13-19(4-3-18(17)14-20)22(25)23-9-11-27-12-10-23/h3-6,13-14,16,21H,7-12,15H2,1-2H3
InChIKeyAFVRMAIQFWJJHX-UHFFFAOYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone
CID 11718271
(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69067801
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69282604
methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate
CID 150365162
N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
CID 69061667
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone
CID 11617590
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate
CID 69324997
(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 11654491
5-(1-propan-2-ylpiperidin-4-yl)oxy-1-benzothiophene-2-carboxylic acid
CID 68728287

Frequently Asked Questions

What is the IUPAC name of [6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone (CID 69071505) is [6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone is CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCSCC4)ccc3c2)C1.
What is the InChIKey of [6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is AFVRMAIQFWJJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-16(2)24-8-7-21(15-24)26-20-6-5-17-13-19(4-3-18(17)14-20)22(25)23-9-11-27-12-10-23/h3-6,13-14,16,21H,7-12,15H2,1-2H3.
What are the key properties of [6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone?
[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 384.55 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 69071505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).