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

C14H19ClN2OS — CID 66420480

IUPACN-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2OS/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)
InChIKeyRSDYHWSUGCSAHU-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.61
Rot. Bonds4

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

N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66420480) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66420480
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2OS/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)
InChIKeyRSDYHWSUGCSAHU-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.61
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-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
CID 119937245
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-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518150
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-(3-bromo-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935675

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 66420480) is N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is CC(NC(=O)CC1CSCCN1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is RSDYHWSUGCSAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/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).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 298.84 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).