N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide

C14H19BrN2OS — CID 66420296

IUPACN-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2OS/c1-10(11-2-4-12(15)5-3-11)17-14(18)8-13-9-19-7-6-16-13/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)
InChIKeyNRTTWFPNMGCVJK-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66420296) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66420296
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2OS/c1-10(11-2-4-12(15)5-3-11)17-14(18)8-13-9-19-7-6-16-13/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)
InChIKeyNRTTWFPNMGCVJK-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935675
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119938284
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937198
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937616
2-thiomorpholin-3-yl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119937740
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935893
2-thiomorpholin-3-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 119935563
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 66420296) is N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is CC(NC(=O)CC1CSCCN1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is NRTTWFPNMGCVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-10(11-2-4-12(15)5-3-11)17-14(18)8-13-9-19-7-6-16-13/h2-5,10,13,16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 343.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).