2-(3-chloro-4-ethoxyphenyl)thiomorpholine

C12H16ClNOS — CID 82300236

IUPAC2-(3-chloro-4-ethoxyphenyl)thiomorpholine
SMILESCCOc1ccc(C2CNCCS2)cc1Cl
InChIInChI=1S/C12H16ClNOS/c1-2-15-11-4-3-9(7-10(11)13)12-8-14-5-6-16-12/h3-4,7,12,14H,2,5-6,8H2,1H3
InChIKeyJPTHNDGDPSOASZ-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.12
Rot. Bonds3

About 2-(3-chloro-4-ethoxyphenyl)thiomorpholine

2-(3-chloro-4-ethoxyphenyl)thiomorpholine (PubChem CID 82300236) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)thiomorpholine.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)thiomorpholine
PubChem CID82300236
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name2-(3-chloro-4-ethoxyphenyl)thiomorpholine
SMILESCCOc1ccc(C2CNCCS2)cc1Cl
InChIInChI=1S/C12H16ClNOS/c1-2-15-11-4-3-9(7-10(11)13)12-8-14-5-6-16-12/h3-4,7,12,14H,2,5-6,8H2,1H3
InChIKeyJPTHNDGDPSOASZ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
2-(3-chloro-4-fluorophenyl)thiomorpholine
CID 82649796
2-(3-chloro-4-ethoxyphenyl)aziridine
CID 82469286
2-(3-chloro-4-ethoxyphenyl)-3-methyloxirane
CID 116863459
4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
CID 116925686
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
3-chloro-4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104860046
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
2-(5-fluoro-2-methoxyphenyl)thiomorpholine
CID 82081138
4-(3-chloro-4-ethoxyphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116980032
(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride
CID 140532848
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)thiomorpholine?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)thiomorpholine (CID 82300236) is 2-(3-chloro-4-ethoxyphenyl)thiomorpholine.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)thiomorpholine?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)thiomorpholine is CCOc1ccc(C2CNCCS2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)thiomorpholine?
The InChIKey is JPTHNDGDPSOASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-2-15-11-4-3-9(7-10(11)13)12-8-14-5-6-16-12/h3-4,7,12,14H,2,5-6,8H2,1H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)thiomorpholine?
2-(3-chloro-4-ethoxyphenyl)thiomorpholine has a molecular weight of 257.79 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)thiomorpholine is sourced from PubChem (CID 82300236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).