2-(3-methoxyphenoxy)-2-methylpropanethioamide

C11H15NO2S — CID 82080839

IUPAC2-(3-methoxyphenoxy)-2-methylpropanethioamide
SMILESCOc1cccc(OC(C)(C)C(N)=S)c1
InChIInChI=1S/C11H15NO2S/c1-11(2,10(12)15)14-9-6-4-5-8(7-9)13-3/h4-7H,1-3H3,(H2,12,15)
InChIKeyRVNQLUIFVJDTTR-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.14
Rot. Bonds4

About 2-(3-methoxyphenoxy)-2-methylpropanethioamide

2-(3-methoxyphenoxy)-2-methylpropanethioamide (PubChem CID 82080839) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-2-methylpropanethioamide
PubChem CID82080839
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-(3-methoxyphenoxy)-2-methylpropanethioamide
SMILESCOc1cccc(OC(C)(C)C(N)=S)c1
InChIInChI=1S/C11H15NO2S/c1-11(2,10(12)15)14-9-6-4-5-8(7-9)13-3/h4-7H,1-3H3,(H2,12,15)
InChIKeyRVNQLUIFVJDTTR-UHFFFAOYSA-N
XLogP2.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796
2-(4-chloro-3-methylphenoxy)-2-methylpropanethioamide
CID 82085322
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methoxybenzamide
CID 61120038
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
[4-(3-methoxyphenoxy)phenyl]thiourea
CID 169356411
CID 139245906
CID 139245906
2-(3-methoxyphenoxy)-2-methylbutanoic acid
CID 114987502

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-2-methylpropanethioamide?
The IUPAC name of 2-(3-methoxyphenoxy)-2-methylpropanethioamide (CID 82080839) is 2-(3-methoxyphenoxy)-2-methylpropanethioamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-2-methylpropanethioamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-2-methylpropanethioamide is COc1cccc(OC(C)(C)C(N)=S)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-2-methylpropanethioamide?
The InChIKey is RVNQLUIFVJDTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2,10(12)15)14-9-6-4-5-8(7-9)13-3/h4-7H,1-3H3,(H2,12,15).
What are the key properties of 2-(3-methoxyphenoxy)-2-methylpropanethioamide?
2-(3-methoxyphenoxy)-2-methylpropanethioamide has a molecular weight of 225.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-2-methylpropanethioamide is sourced from PubChem (CID 82080839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).