2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide

C16H24N2O2S — CID 61432522

IUPAC2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCN(CCOc1ccc(CC(N)=S)cc1)CC1CCCO1
InChIInChI=1S/C16H24N2O2S/c1-18(12-15-3-2-9-19-15)8-10-20-14-6-4-13(5-7-14)11-16(17)21/h4-7,15H,2-3,8-12H2,1H3,(H2,17,21)
InChIKeyFZBUWMBQSMDRTN-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.00
Rot. Bonds8

About 2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide

2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide (PubChem CID 61432522) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide
PubChem CID61432522
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCN(CCOc1ccc(CC(N)=S)cc1)CC1CCCO1
InChIInChI=1S/C16H24N2O2S/c1-18(12-15-3-2-9-19-15)8-10-20-14-6-4-13(5-7-14)11-16(17)21/h4-7,15H,2-3,8-12H2,1H3,(H2,17,21)
InChIKeyFZBUWMBQSMDRTN-UHFFFAOYSA-N
XLogP2.00
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
CID 61431012
2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 91834866
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625
2-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 61432572
2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 63712202
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 81056606
N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine
CID 62436955
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290703
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide
CID 77057892
N-ethyl-3,4-dimethoxy-N-[[2-methyl-4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]aniline
CID 142915173

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide (CID 61432522) is 2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide is CN(CCOc1ccc(CC(N)=S)cc1)CC1CCCO1.
What is the InChIKey of 2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide?
The InChIKey is FZBUWMBQSMDRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-18(12-15-3-2-9-19-15)8-10-20-14-6-4-13(5-7-14)11-16(17)21/h4-7,15H,2-3,8-12H2,1H3,(H2,17,21).
What are the key properties of 2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide?
2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide has a molecular weight of 308.45 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide is sourced from PubChem (CID 61432522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).