2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine

C13H18ClNOS — CID 117432500

IUPAC2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine
SMILESCC(C)Sc1ccc(C2CNCCO2)cc1Cl
InChIInChI=1S/C13H18ClNOS/c1-9(2)17-13-4-3-10(7-11(13)14)12-8-15-5-6-16-12/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeyPHHRMOCPRWCFHP-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.50
Rot. Bonds3

About 2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine

2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine (PubChem CID 117432500) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine
PubChem CID117432500
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine
SMILESCC(C)Sc1ccc(C2CNCCO2)cc1Cl
InChIInChI=1S/C13H18ClNOS/c1-9(2)17-13-4-3-10(7-11(13)14)12-8-15-5-6-16-12/h3-4,7,9,12,15H,5-6,8H2,1-2H3
InChIKeyPHHRMOCPRWCFHP-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
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2-(3,4-dimethylphenyl)morpholine
CID 43169342
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
CID 117454632
2-(3-chloro-1-methylindol-5-yl)morpholine
CID 117380161
2-(3-chloro-4-methoxy-5-propan-2-ylphenyl)morpholine
CID 117427563
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine?
The IUPAC name of 2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine (CID 117432500) is 2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine.
What is the SMILES notation for 2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine?
The canonical SMILES for 2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine is CC(C)Sc1ccc(C2CNCCO2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine?
The InChIKey is PHHRMOCPRWCFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-9(2)17-13-4-3-10(7-11(13)14)12-8-15-5-6-16-12/h3-4,7,9,12,15H,5-6,8H2,1-2H3.
What are the key properties of 2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine?
2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine has a molecular weight of 271.81 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine is sourced from PubChem (CID 117432500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).