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

C14H19BrN2OS — CID 81375971

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESC[C@H](NC(=O)CC1CSCCN1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2OS/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-19-6-5-16-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1
InChIKeyJIPSJWHZJCJAAS-NKUHCKNESA-N
MW343.29 g/mol
LogP2.72
Rot. Bonds4

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

N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 81375971) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID81375971
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESC[C@H](NC(=O)CC1CSCCN1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2OS/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-19-6-5-16-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1
InChIKeyJIPSJWHZJCJAAS-NKUHCKNESA-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-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936283
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936282
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935675
N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942551
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935893
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239
N-[1-(4-methyl-3-nitrophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940482
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 81375971) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is C[C@H](NC(=O)CC1CSCCN1)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is JIPSJWHZJCJAAS-NKUHCKNESA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-19-6-5-16-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[(1S)-1-(3-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-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 81375971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).