4-[(3-chlorophenyl)methyl]thiomorpholine

C11H14ClNS — CID 792437

IUPAC4-[(3-chlorophenyl)methyl]thiomorpholine
SMILESClc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C11H14ClNS/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChIKeyZCTCUBBVDCJFKH-UHFFFAOYSA-N
MW227.76 g/mol
LogP2.89
Rot. Bonds2

About 4-[(3-chlorophenyl)methyl]thiomorpholine

4-[(3-chlorophenyl)methyl]thiomorpholine (PubChem CID 792437) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]thiomorpholine
PubChem CID792437
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name4-[(3-chlorophenyl)methyl]thiomorpholine
SMILESClc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C11H14ClNS/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChIKeyZCTCUBBVDCJFKH-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pcr 3787
CID 134227
4-(3,4-Dichlorobenzyl)thiomorpholine
CID 793280
4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
4-(2,4-Dichlorobenzyl)thiomorpholine
CID 1377068
4-(2,3-Dichlorobenzyl)thiomorpholine
CID 1377244
4-(4-Chlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 3743586
4-(2-Chlorobenzyl)thiomorpholine
CID 791229
4-(3,4-Dichlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2767998
4-(3-Chlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 4351291
4-(3,5-Dichlorobenzyl)thiomorpholine
CID 2743177
Phenyl(thiomorpholin-4-yl)methanethione
CID 2732568
1-(2-Chlorobenzyl)piperidine
CID 12254863

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(3-chlorophenyl)methyl]thiomorpholine (CID 792437) is 4-[(3-chlorophenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]thiomorpholine is Clc1cccc(CN2CCSCC2)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]thiomorpholine?
The InChIKey is ZCTCUBBVDCJFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2.
What are the key properties of 4-[(3-chlorophenyl)methyl]thiomorpholine?
4-[(3-chlorophenyl)methyl]thiomorpholine has a molecular weight of 227.76 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]thiomorpholine is sourced from PubChem (CID 792437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).