2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide

C15H21NOS — CID 65498111

IUPAC2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide
SMILESCC(C)c1ccccc1OCC1(CC(N)=S)CC1
InChIInChI=1S/C15H21NOS/c1-11(2)12-5-3-4-6-13(12)17-10-15(7-8-15)9-14(16)18/h3-6,11H,7-10H2,1-2H3,(H2,16,18)
InChIKeyYHFNYIWIPFOZRD-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.65
Rot. Bonds6

About 2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide

2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide (PubChem CID 65498111) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide
PubChem CID65498111
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide
SMILESCC(C)c1ccccc1OCC1(CC(N)=S)CC1
InChIInChI=1S/C15H21NOS/c1-11(2)12-5-3-4-6-13(12)17-10-15(7-8-15)9-14(16)18/h3-6,11H,7-10H2,1-2H3,(H2,16,18)
InChIKeyYHFNYIWIPFOZRD-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2-bromophenoxy)methyl]cyclopropyl]ethanethioamide
CID 65495996
2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide
CID 65497678
1-[(2-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65213064
2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide
CID 65496626
2-methyl-2-[(2-propan-2-ylphenoxy)methyl]oxirane
CID 66334758
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 115668941
2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanethioamide
CID 65498113
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 114750966
2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 113303039
2-[1-[(4-chloro-3,5-dimethylphenoxy)methyl]cyclopropyl]ethanethioamide
CID 65495785

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide (CID 65498111) is 2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide is CC(C)c1ccccc1OCC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide?
The InChIKey is YHFNYIWIPFOZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11(2)12-5-3-4-6-13(12)17-10-15(7-8-15)9-14(16)18/h3-6,11H,7-10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide?
2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide has a molecular weight of 263.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65498111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).