2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide

C14H19NO2S — CID 65496626

IUPAC2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(COCCOc2ccccc2)CC1
InChIInChI=1S/C14H19NO2S/c15-13(18)10-14(6-7-14)11-16-8-9-17-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,18)
InChIKeyNKDDXNOOULEPBB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.54
Rot. Bonds8

About 2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide

2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide (PubChem CID 65496626) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide
PubChem CID65496626
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(COCCOc2ccccc2)CC1
InChIInChI=1S/C14H19NO2S/c15-13(18)10-14(6-7-14)11-16-8-9-17-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,18)
InChIKeyNKDDXNOOULEPBB-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxy)ethanethioamide
CID 24693091
2-[1-[(2-bromophenoxy)methyl]cyclopropyl]ethanethioamide
CID 65495996
2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide
CID 65497678
1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
CID 64573978
2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide
CID 65498111
1-(phenoxymethyl)cyclobutane-1-carbothioamide
CID 97033943
2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanethioamide
CID 65495363
[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003231
N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide
CID 77070663
[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
CID 170900192
2-methyl-3-(2-phenoxyethoxy)propanethioamide
CID 43368607
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide (CID 65496626) is 2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide is NC(=S)CC1(COCCOc2ccccc2)CC1.
What is the InChIKey of 2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide?
The InChIKey is NKDDXNOOULEPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c15-13(18)10-14(6-7-14)11-16-8-9-17-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,18).
What are the key properties of 2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide?
2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide has a molecular weight of 265.38 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide is sourced from PubChem (CID 65496626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).