[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone

C16H21BrN2O2S — CID 146078396

IUPAC[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2ccc(Br)cc2)CCO1)N1CCSCC1
InChIInChI=1S/C16H21BrN2O2S/c17-14-3-1-13(2-4-14)11-18-5-8-21-15(12-18)16(20)19-6-9-22-10-7-19/h1-4,15H,5-12H2
InChIKeyVFWWPPJWUDHQPG-UHFFFAOYSA-N
MW385.33 g/mol
LogP2.23
Rot. Bonds3

About [4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone

[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 146078396) has the molecular formula C16H21BrN2O2S and a molecular weight of 385.33 g/mol. Its IUPAC name is [4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID146078396
Molecular FormulaC16H21BrN2O2S
Molecular Weight385.33 g/mol
Exact Mass384.05
IUPAC Name[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2ccc(Br)cc2)CCO1)N1CCSCC1
InChIInChI=1S/C16H21BrN2O2S/c17-14-3-1-13(2-4-14)11-18-5-8-21-15(12-18)16(20)19-6-9-22-10-7-19/h1-4,15H,5-12H2
InChIKeyVFWWPPJWUDHQPG-UHFFFAOYSA-N
XLogP2.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone
CID 146078359
[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078593
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078179
[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078304
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146077909
[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981397
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
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-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone (CID 146078396) is [4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone is O=C(C1CN(Cc2ccc(Br)cc2)CCO1)N1CCSCC1.
What is the InChIKey of [4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is VFWWPPJWUDHQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2S/c17-14-3-1-13(2-4-14)11-18-5-8-21-15(12-18)16(20)19-6-9-22-10-7-19/h1-4,15H,5-12H2.
What are the key properties of [4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone?
[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 385.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 146078396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).