N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide

C10H19NO2S — CID 107299396

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1(SC)CC1
InChIInChI=1S/C10H19NO2S/c1-3-6-13-7-9(12)11-8-10(14-2)4-5-10/h3-8H2,1-2H3,(H,11,12)
InChIKeyQRZGQEWSEJCCAR-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.42
Rot. Bonds7

About N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide

N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide (PubChem CID 107299396) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide
PubChem CID107299396
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1(SC)CC1
InChIInChI=1S/C10H19NO2S/c1-3-6-13-7-9(12)11-8-10(14-2)4-5-10/h3-8H2,1-2H3,(H,11,12)
InChIKeyQRZGQEWSEJCCAR-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941625
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
2-ethoxy-N-[(1-propylcyclopropyl)methyl]acetamide
CID 103762292
ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
CID 107299283
2-(2-methoxyethoxy)-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722075
N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide
CID 103881092
2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid
CID 114117097
N-(2-methylprop-2-enyl)-2-propoxyacetamide
CID 104955622
2-hydroxy-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide
CID 107299483
N-(3-hydroxypentyl)-2-propoxyacetamide
CID 103774767
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119187

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide (CID 107299396) is N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide is CCCOCC(=O)NCC1(SC)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide?
The InChIKey is QRZGQEWSEJCCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-6-13-7-9(12)11-8-10(14-2)4-5-10/h3-8H2,1-2H3,(H,11,12).
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide?
N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide has a molecular weight of 217.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide is sourced from PubChem (CID 107299396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).