2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine

C14H18ClNOS — CID 117456588

IUPAC2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine
SMILESClc1cc(C2CNCCO2)ccc1C1CCSC1
InChIInChI=1S/C14H18ClNOS/c15-13-7-10(14-8-16-4-5-17-14)1-2-12(13)11-3-6-18-9-11/h1-2,7,11,14,16H,3-6,8-9H2
InChIKeyULEAGFDLVWZXGN-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.22
Rot. Bonds2

About 2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine

2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine (PubChem CID 117456588) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine.

Molecular Properties

Compound Name2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine
PubChem CID117456588
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine
SMILESClc1cc(C2CNCCO2)ccc1C1CCSC1
InChIInChI=1S/C14H18ClNOS/c15-13-7-10(14-8-16-4-5-17-14)1-2-12(13)11-3-6-18-9-11/h1-2,7,11,14,16H,3-6,8-9H2
InChIKeyULEAGFDLVWZXGN-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
2-(3-bromo-4-cyclopropylphenyl)morpholine
CID 117453196
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine
CID 117432500
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine
CID 117497013
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine
CID 117478225
2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
CID 117454632
2-[3-chloro-4-(thiolan-3-yl)phenyl]ethanol
CID 117358971
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
3-[3-chloro-4-(oxan-4-yl)phenyl]pyrrolidine
CID 117418775

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine?
The IUPAC name of 2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine (CID 117456588) is 2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine.
What is the SMILES notation for 2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine?
The canonical SMILES for 2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine is Clc1cc(C2CNCCO2)ccc1C1CCSC1.
What is the InChIKey of 2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine?
The InChIKey is ULEAGFDLVWZXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c15-13-7-10(14-8-16-4-5-17-14)1-2-12(13)11-3-6-18-9-11/h1-2,7,11,14,16H,3-6,8-9H2.
What are the key properties of 2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine?
2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine has a molecular weight of 283.82 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine is sourced from PubChem (CID 117456588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).