N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide

C12H17BrN2O2S — CID 115178142

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CC1COCCN1
InChIInChI=1S/C12H17BrN2O2S/c1-15(7-10-2-3-11(13)18-10)12(16)6-9-8-17-5-4-14-9/h2-3,9,14H,4-8H2,1H3
InChIKeyNJCLIEOPNKWUSN-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.85
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide (PubChem CID 115178142) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide
PubChem CID115178142
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CC1COCCN1
InChIInChI=1S/C12H17BrN2O2S/c1-15(7-10-2-3-11(13)18-10)12(16)6-9-8-17-5-4-14-9/h2-3,9,14H,4-8H2,1H3
InChIKeyNJCLIEOPNKWUSN-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide (CID 115178142) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide is CN(Cc1ccc(Br)s1)C(=O)CC1COCCN1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide?
The InChIKey is NJCLIEOPNKWUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-15(7-10-2-3-11(13)18-10)12(16)6-9-8-17-5-4-14-9/h2-3,9,14H,4-8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide has a molecular weight of 333.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide is sourced from PubChem (CID 115178142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).