[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone

C18H26N2O4S — CID 146078593

IUPAC[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCOc1cc(CN2CCOC(C(=O)N3CCSCC3)C2)cc(OC)c1
InChIInChI=1S/C18H26N2O4S/c1-22-15-9-14(10-16(11-15)23-2)12-19-3-6-24-17(13-19)18(21)20-4-7-25-8-5-20/h9-11,17H,3-8,12-13H2,1-2H3
InChIKeyCDDHWIHPQVFCSC-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.48
Rot. Bonds5

About [4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone

[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 146078593) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is [4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID146078593
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCOc1cc(CN2CCOC(C(=O)N3CCSCC3)C2)cc(OC)c1
InChIInChI=1S/C18H26N2O4S/c1-22-15-9-14(10-16(11-15)23-2)12-19-3-6-24-17(13-19)18(21)20-4-7-25-8-5-20/h9-11,17H,3-8,12-13H2,1-2H3
InChIKeyCDDHWIHPQVFCSC-UHFFFAOYSA-N
XLogP1.48
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078396
thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone
CID 146078359
[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078304
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078179
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone
CID 99786810
[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146077909
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165435270
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
CID 155974237

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone (CID 146078593) is [4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone is COc1cc(CN2CCOC(C(=O)N3CCSCC3)C2)cc(OC)c1.
What is the InChIKey of [4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is CDDHWIHPQVFCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-22-15-9-14(10-16(11-15)23-2)12-19-3-6-24-17(13-19)18(21)20-4-7-25-8-5-20/h9-11,17H,3-8,12-13H2,1-2H3.
What are the key properties of [4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 366.48 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 146078593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).