N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide

C11H21NO3S — CID 121480756

IUPACN-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCCOCCC(=O)C(C)C
InChIInChI=1S/C11H21NO3S/c1-9(2)10(13)4-6-15-7-5-12-11(14)8-16-3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyCABQIACUWNFYDY-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.10
Rot. Bonds9

About N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide

N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide (PubChem CID 121480756) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide
PubChem CID121480756
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCCOCCC(=O)C(C)C
InChIInChI=1S/C11H21NO3S/c1-9(2)10(13)4-6-15-7-5-12-11(14)8-16-3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyCABQIACUWNFYDY-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 138721605
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 176577667
propan-2-yl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
CID 169024379
(2S)-2-acetamido-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 157395276
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350
2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
CID 134572737
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
CID 160711041
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide (CID 121480756) is N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide is CSCC(=O)NCCOCCC(=O)C(C)C.
What is the InChIKey of N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide?
The InChIKey is CABQIACUWNFYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-9(2)10(13)4-6-15-7-5-12-11(14)8-16-3/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide?
N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide has a molecular weight of 247.36 g/mol, XLogP of 1.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 121480756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).