4-(4-phenylsulfanylbutyl)morpholine

C14H21NOS — CID 2993740

IUPAC4-(4-phenylsulfanylbutyl)morpholine
SMILESc1ccc(SCCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NOS/c1-2-6-14(7-3-1)17-13-5-4-8-15-9-11-16-12-10-15/h1-3,6-7H,4-5,8-13H2
InChIKeyWGORBRVUSBDQKW-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.89
Rot. Bonds6

About 4-(4-phenylsulfanylbutyl)morpholine

4-(4-phenylsulfanylbutyl)morpholine (PubChem CID 2993740) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-(4-phenylsulfanylbutyl)morpholine.

Molecular Properties

Compound Name4-(4-phenylsulfanylbutyl)morpholine
PubChem CID2993740
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-(4-phenylsulfanylbutyl)morpholine
SMILESc1ccc(SCCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NOS/c1-2-6-14(7-3-1)17-13-5-4-8-15-9-11-16-12-10-15/h1-3,6-7H,4-5,8-13H2
InChIKeyWGORBRVUSBDQKW-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-phenylsulfanylhexyl)pyrrolidine
CID 11857934
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
1-ethyl-4-(4-phenylsulfanylbutyl)piperazine;oxalic acid
CID 2961167
4-[2-[(4-hexylsulfanylphenyl)-phenylmethyl]sulfanylethyl]morpholine
CID 154362677
7-(4-phenylsulfanylbutyl)-2,7-diazaspiro[3.5]nonane
CID 170584124
4-methyl-1-(4-phenylsulfanylbutyl)piperidine-4-carboxylic acid
CID 175209892
4-(amino-methylidene-oxo-λ6-sulfanyl)-2-(trifluoromethylsulfonyl)aniline;4-(4-phenylsulfanylbutyl)morpholine
CID 156737141
4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine
CID 154445792
4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine
CID 123799791
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylsulfanylbutyl)morpholine?
The IUPAC name of 4-(4-phenylsulfanylbutyl)morpholine (CID 2993740) is 4-(4-phenylsulfanylbutyl)morpholine.
What is the SMILES notation for 4-(4-phenylsulfanylbutyl)morpholine?
The canonical SMILES for 4-(4-phenylsulfanylbutyl)morpholine is c1ccc(SCCCCN2CCOCC2)cc1.
What is the InChIKey of 4-(4-phenylsulfanylbutyl)morpholine?
The InChIKey is WGORBRVUSBDQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-6-14(7-3-1)17-13-5-4-8-15-9-11-16-12-10-15/h1-3,6-7H,4-5,8-13H2.
What are the key properties of 4-(4-phenylsulfanylbutyl)morpholine?
4-(4-phenylsulfanylbutyl)morpholine has a molecular weight of 251.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylsulfanylbutyl)morpholine is sourced from PubChem (CID 2993740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).