3-(chloromethylsulfonylamino)-N,N-diethylpropanamide

C8H17ClN2O3S — CID 63665762

IUPAC3-(chloromethylsulfonylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)CCl
InChIInChI=1S/C8H17ClN2O3S/c1-3-11(4-2)8(12)5-6-10-15(13,14)7-9/h10H,3-7H2,1-2H3
InChIKeyRHQUUUXSAXVGLI-UHFFFAOYSA-N
MW256.75 g/mol
LogP0.36
Rot. Bonds7

About 3-(chloromethylsulfonylamino)-N,N-diethylpropanamide

3-(chloromethylsulfonylamino)-N,N-diethylpropanamide (PubChem CID 63665762) has the molecular formula C8H17ClN2O3S and a molecular weight of 256.75 g/mol. Its IUPAC name is 3-(chloromethylsulfonylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(chloromethylsulfonylamino)-N,N-diethylpropanamide
PubChem CID63665762
Molecular FormulaC8H17ClN2O3S
Molecular Weight256.75 g/mol
Exact Mass256.06
IUPAC Name3-(chloromethylsulfonylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)CCl
InChIInChI=1S/C8H17ClN2O3S/c1-3-11(4-2)8(12)5-6-10-15(13,14)7-9/h10H,3-7H2,1-2H3
InChIKeyRHQUUUXSAXVGLI-UHFFFAOYSA-N
XLogP0.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(chloromethylsulfonylamino)propanoate
CID 63664767
3-(chloromethylsulfonylamino)propanoic acid
CID 63664761
N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
CID 112695679
3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
CID 62728135
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
CID 60926737
4-(chloromethylsulfonylamino)butanoic acid
CID 63664973
3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 47062308
N,N-diethyl-3-(methylcarbamoylamino)propanamide
CID 115588408
3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 60925499
3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 61125157

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethylsulfonylamino)-N,N-diethylpropanamide?
The IUPAC name of 3-(chloromethylsulfonylamino)-N,N-diethylpropanamide (CID 63665762) is 3-(chloromethylsulfonylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(chloromethylsulfonylamino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(chloromethylsulfonylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCNS(=O)(=O)CCl.
What is the InChIKey of 3-(chloromethylsulfonylamino)-N,N-diethylpropanamide?
The InChIKey is RHQUUUXSAXVGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O3S/c1-3-11(4-2)8(12)5-6-10-15(13,14)7-9/h10H,3-7H2,1-2H3.
What are the key properties of 3-(chloromethylsulfonylamino)-N,N-diethylpropanamide?
3-(chloromethylsulfonylamino)-N,N-diethylpropanamide has a molecular weight of 256.75 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethylsulfonylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 63665762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).