N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide

C8H16ClNO4S — CID 104522334

IUPACN-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCCOCCCl)S(C)(=O)=O
InChIInChI=1S/C8H16ClNO4S/c1-7(15(2,12)13)8(11)10-4-6-14-5-3-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyHISZUVGMHOHBQD-UHFFFAOYSA-N
MW257.74 g/mol
LogP-0.21
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide

N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide (PubChem CID 104522334) has the molecular formula C8H16ClNO4S and a molecular weight of 257.74 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide
PubChem CID104522334
Molecular FormulaC8H16ClNO4S
Molecular Weight257.74 g/mol
Exact Mass257.05
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCCOCCCl)S(C)(=O)=O
InChIInChI=1S/C8H16ClNO4S/c1-7(15(2,12)13)8(11)10-4-6-14-5-3-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyHISZUVGMHOHBQD-UHFFFAOYSA-N
XLogP-0.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
1-[2-(2-chloroethoxy)ethyl]-3-methylurea
CID 157271726
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
CID 114297478
N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870
N-(3-chloro-4-methoxybutyl)-2-methylsulfonylpropanamide
CID 106243933
methyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115582753
N-[2-(4-aminophenoxy)ethyl]-2-methylsulfonylpropanamide
CID 104517296
N-(5-hydroxypentyl)-2-methylsulfonylpropanamide
CID 107318586
N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide
CID 106157492
(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide
CID 119803206
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
CID 62726665
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide (CID 104522334) is N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide is CC(C(=O)NCCOCCCl)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide?
The InChIKey is HISZUVGMHOHBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO4S/c1-7(15(2,12)13)8(11)10-4-6-14-5-3-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide?
N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide has a molecular weight of 257.74 g/mol, XLogP of -0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 104522334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).