4-[(2-chlorophenyl)methyl]thiomorpholine

C11H14ClNS — CID 791229

IUPAC4-[(2-chlorophenyl)methyl]thiomorpholine
SMILESClc1ccccc1CN1CCSCC1
InChIInChI=1S/C11H14ClNS/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKeyZCSOOSSGZBVQFR-UHFFFAOYSA-N
MW227.76 g/mol
LogP2.89
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]thiomorpholine

4-[(2-chlorophenyl)methyl]thiomorpholine (PubChem CID 791229) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]thiomorpholine
PubChem CID791229
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name4-[(2-chlorophenyl)methyl]thiomorpholine
SMILESClc1ccccc1CN1CCSCC1
InChIInChI=1S/C11H14ClNS/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKeyZCSOOSSGZBVQFR-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]thiomorpholine (CID 791229) is 4-[(2-chlorophenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]thiomorpholine is Clc1ccccc1CN1CCSCC1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]thiomorpholine?
The InChIKey is ZCSOOSSGZBVQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]thiomorpholine?
4-[(2-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-[(2-chlorophenyl)methyl]thiomorpholine is sourced from PubChem (CID 791229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).