3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine

C15H22ClNO2S2 — CID 71999873

IUPAC3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine
SMILESCCS(=O)(=O)CCCN1CCSCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2S2/c1-2-21(18,19)11-3-8-17-9-10-20-12-15(17)13-4-6-14(16)7-5-13/h4-7,15H,2-3,8-12H2,1H3
InChIKeyFMLYJLTZNRDFCH-UHFFFAOYSA-N
MW347.93 g/mol
LogP3.25
Rot. Bonds6

About 3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine

3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine (PubChem CID 71999873) has the molecular formula C15H22ClNO2S2 and a molecular weight of 347.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine
PubChem CID71999873
Molecular FormulaC15H22ClNO2S2
Molecular Weight347.93 g/mol
Exact Mass347.08
IUPAC Name3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine
SMILESCCS(=O)(=O)CCCN1CCSCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2S2/c1-2-21(18,19)11-3-8-17-9-10-20-12-15(17)13-4-6-14(16)7-5-13/h4-7,15H,2-3,8-12H2,1H3
InChIKeyFMLYJLTZNRDFCH-UHFFFAOYSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Chlormezanone
CID 2717
1-[2-(4-Chlorophenyl)sulfonyl-1-phenylethyl]piperidine
CID 2818845
4-(4-Chlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 3743586
4-(3,4-Dichlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2767998
1-[(4-Chlorobenzyl)sulfonyl]-3-methylpiperidine
CID 2974425
4-(3-Chlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 4351291
3-[(4-Chlorophenyl)methyl]-1,3-thiazinane-2-thione
CID 325982
4-[4-Chloro-3-(trifluoromethyl)benzyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 1478197
4-(2-Chlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 4516450
(S)-chlormezanone
CID 6603760
(R)-chlormezanone
CID 6604211
(2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine
CID 949918

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine?
The IUPAC name of 3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine (CID 71999873) is 3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine is CCS(=O)(=O)CCCN1CCSCC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine?
The InChIKey is FMLYJLTZNRDFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S2/c1-2-21(18,19)11-3-8-17-9-10-20-12-15(17)13-4-6-14(16)7-5-13/h4-7,15H,2-3,8-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine?
3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine has a molecular weight of 347.93 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine is sourced from PubChem (CID 71999873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).