4-[(2,4-dichlorophenyl)methyl]thiomorpholine

C11H13Cl2NS — CID 1377068

IUPAC4-[(2,4-dichlorophenyl)methyl]thiomorpholine
SMILESClc1ccc(CN2CCSCC2)c(Cl)c1
InChIInChI=1S/C11H13Cl2NS/c12-10-2-1-9(11(13)7-10)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyKRZLJTZEIZZIHC-UHFFFAOYSA-N
MW262.20 g/mol
LogP3.54
Rot. Bonds2

About 4-[(2,4-dichlorophenyl)methyl]thiomorpholine

4-[(2,4-dichlorophenyl)methyl]thiomorpholine (PubChem CID 1377068) has the molecular formula C11H13Cl2NS and a molecular weight of 262.20 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]thiomorpholine
PubChem CID1377068
Molecular FormulaC11H13Cl2NS
Molecular Weight262.20 g/mol
Exact Mass261.01
IUPAC Name4-[(2,4-dichlorophenyl)methyl]thiomorpholine
SMILESClc1ccc(CN2CCSCC2)c(Cl)c1
InChIInChI=1S/C11H13Cl2NS/c12-10-2-1-9(11(13)7-10)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyKRZLJTZEIZZIHC-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
3-chloro-4-(thiomorpholin-4-ylmethyl)benzonitrile
CID 102665276
4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 51108757
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781962
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280
3-(bromomethyl)-1-[(2,4-dichlorophenyl)methyl]azetidine
CID 130531229
7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17382749

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]thiomorpholine (CID 1377068) is 4-[(2,4-dichlorophenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]thiomorpholine is Clc1ccc(CN2CCSCC2)c(Cl)c1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]thiomorpholine?
The InChIKey is KRZLJTZEIZZIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NS/c12-10-2-1-9(11(13)7-10)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]thiomorpholine?
4-[(2,4-dichlorophenyl)methyl]thiomorpholine has a molecular weight of 262.20 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]thiomorpholine is sourced from PubChem (CID 1377068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).