2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide

C11H21NO2S — CID 103488419

IUPAC2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide
SMILESCCOCC(C)OCC1(CC(N)=S)CC1
InChIInChI=1S/C11H21NO2S/c1-3-13-7-9(2)14-8-11(4-5-11)6-10(12)15/h9H,3-8H2,1-2H3,(H2,12,15)
InChIKeyFYVJHXPCFOEZOB-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.88
Rot. Bonds8

About 2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide

2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide (PubChem CID 103488419) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide
PubChem CID103488419
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide
SMILESCCOCC(C)OCC1(CC(N)=S)CC1
InChIInChI=1S/C11H21NO2S/c1-3-13-7-9(2)14-8-11(4-5-11)6-10(12)15/h9H,3-8H2,1-2H3,(H2,12,15)
InChIKeyFYVJHXPCFOEZOB-UHFFFAOYSA-N
XLogP1.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.88
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

2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]ethanethioamide
CID 82004372
[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide
CID 103491018
2-[1-(butan-2-yloxymethyl)cyclopropyl]ethanimidamide
CID 65494219
(2R)-1,2-diethoxypropane
CID 92973991
ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate
CID 103489818
2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid
CID 65496990
2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498299
2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide
CID 65498111
2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide
CID 65498550
methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate
CID 103489799
2-(1-ethoxypropan-2-yloxy)ethanimidamide
CID 103488671
2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65495325

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide (CID 103488419) is 2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide is CCOCC(C)OCC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide?
The InChIKey is FYVJHXPCFOEZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-13-7-9(2)14-8-11(4-5-11)6-10(12)15/h9H,3-8H2,1-2H3,(H2,12,15).
What are the key properties of 2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide?
2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide has a molecular weight of 231.36 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethoxypropan-2-yloxymethyl)cyclopropyl]ethanethioamide is sourced from PubChem (CID 103488419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).