4-[(3,4-dichlorophenyl)methyl]thiomorpholine

C11H13Cl2NS — CID 793280

IUPAC4-[(3,4-dichlorophenyl)methyl]thiomorpholine
SMILESClc1ccc(CN2CCSCC2)cc1Cl
InChIInChI=1S/C11H13Cl2NS/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyFYPVUFBDBZDLEF-UHFFFAOYSA-N
MW262.20 g/mol
LogP3.54
Rot. Bonds2

About 4-[(3,4-dichlorophenyl)methyl]thiomorpholine

4-[(3,4-dichlorophenyl)methyl]thiomorpholine (PubChem CID 793280) has the molecular formula C11H13Cl2NS and a molecular weight of 262.20 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]thiomorpholine
PubChem CID793280
Molecular FormulaC11H13Cl2NS
Molecular Weight262.20 g/mol
Exact Mass261.01
IUPAC Name4-[(3,4-dichlorophenyl)methyl]thiomorpholine
SMILESClc1ccc(CN2CCSCC2)cc1Cl
InChIInChI=1S/C11H13Cl2NS/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyFYPVUFBDBZDLEF-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

Analyze 4-[(3,4-dichlorophenyl)methyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
1-(2-bromoethyl)-4-[(3,4-dichlorophenyl)methyl]piperazine
CID 80674464
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
2,6-dichloro-4-(1,4-thiazepan-4-ylmethyl)aniline
CID 82832971
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 12641830
magnesium;4-(phenylmethyl)thiomorpholine;bromide
CID 91655405
4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine
CID 62893021
1-[(3,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine
CID 4767728
bromozinc(1+);4-(phenylmethyl)thiomorpholine
CID 146001717
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]thiomorpholine (CID 793280) is 4-[(3,4-dichlorophenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]thiomorpholine is Clc1ccc(CN2CCSCC2)cc1Cl.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]thiomorpholine?
The InChIKey is FYPVUFBDBZDLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NS/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]thiomorpholine?
4-[(3,4-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-[(3,4-dichlorophenyl)methyl]thiomorpholine is sourced from PubChem (CID 793280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).