4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane

C18H31NOS — CID 143457208

IUPAC4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane
SMILESCC.CCC(C)c1ccc(SCCN2CCOCC2)cc1
InChIInChI=1S/C16H25NOS.C2H6/c1-3-14(2)15-4-6-16(7-5-15)19-13-10-17-8-11-18-12-9-17;1-2/h4-7,14H,3,8-13H2,1-2H3;1-2H3
InChIKeyFZSWEAQOLAWESQ-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.65
Rot. Bonds6

About 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane

4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane (PubChem CID 143457208) has the molecular formula C18H31NOS and a molecular weight of 309.52 g/mol. Its IUPAC name is 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane.

Molecular Properties

Compound Name4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane
PubChem CID143457208
Molecular FormulaC18H31NOS
Molecular Weight309.52 g/mol
Exact Mass309.21
IUPAC Name4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane
SMILESCC.CCC(C)c1ccc(SCCN2CCOCC2)cc1
InChIInChI=1S/C16H25NOS.C2H6/c1-3-14(2)15-4-6-16(7-5-15)19-13-10-17-8-11-18-12-9-17;1-2/h4-7,14H,3,8-13H2,1-2H3;1-2H3
InChIKeyFZSWEAQOLAWESQ-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
4-[2-[(4-hexylsulfanylphenyl)-phenylmethyl]sulfanylethyl]morpholine
CID 154362677
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
CID 79148751
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645
cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone
CID 82165144
3-(2-morpholin-4-ylethylsulfanyl)phenol
CID 104590753
4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine
CID 170870505
4-[2-[2-chloro-5-(2-morpholin-4-ylethylsulfanyl)phenyl]sulfanylethyl]morpholine;methanesulfonic acid
CID 21163755
1-butan-2-yl-4-methylsulfanylbenzene;ethane
CID 143774583
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine
CID 175419722

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane?
The IUPAC name of 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane (CID 143457208) is 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane.
What is the SMILES notation for 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane?
The canonical SMILES for 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane is CC.CCC(C)c1ccc(SCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane?
The InChIKey is FZSWEAQOLAWESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS.C2H6/c1-3-14(2)15-4-6-16(7-5-15)19-13-10-17-8-11-18-12-9-17;1-2/h4-7,14H,3,8-13H2,1-2H3;1-2H3.
What are the key properties of 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane?
4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane has a molecular weight of 309.52 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane is sourced from PubChem (CID 143457208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).