2-(2-chloroethylsulfonylamino)-N-propylpropanamide

C8H17ClN2O3S — CID 107651325

IUPAC2-(2-chloroethylsulfonylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)CCCl
InChIInChI=1S/C8H17ClN2O3S/c1-3-5-10-8(12)7(2)11-15(13,14)6-4-9/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyXHVQBYPEUZSQBI-UHFFFAOYSA-N
MW256.75 g/mol
LogP0.06
Rot. Bonds7

About 2-(2-chloroethylsulfonylamino)-N-propylpropanamide

2-(2-chloroethylsulfonylamino)-N-propylpropanamide (PubChem CID 107651325) has the molecular formula C8H17ClN2O3S and a molecular weight of 256.75 g/mol. Its IUPAC name is 2-(2-chloroethylsulfonylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2-chloroethylsulfonylamino)-N-propylpropanamide
PubChem CID107651325
Molecular FormulaC8H17ClN2O3S
Molecular Weight256.75 g/mol
Exact Mass256.06
IUPAC Name2-(2-chloroethylsulfonylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)CCCl
InChIInChI=1S/C8H17ClN2O3S/c1-3-5-10-8(12)7(2)11-15(13,14)6-4-9/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyXHVQBYPEUZSQBI-UHFFFAOYSA-N
XLogP0.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
CID 83032343
(2S)-2-hydroxy-3-[2-(propylsulfonylamino)propanoylamino]propanoic acid
CID 107833554
N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide
CID 103877484
2-[[2-[2-(propylsulfonylamino)propanoylamino]acetyl]amino]acetic acid
CID 43465477
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
2-(3-aminopropylsulfonylamino)-N-ethylpropanamide
CID 61480140
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide
CID 79675663
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfonylamino)-N-propylpropanamide?
The IUPAC name of 2-(2-chloroethylsulfonylamino)-N-propylpropanamide (CID 107651325) is 2-(2-chloroethylsulfonylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(2-chloroethylsulfonylamino)-N-propylpropanamide?
The canonical SMILES for 2-(2-chloroethylsulfonylamino)-N-propylpropanamide is CCCNC(=O)C(C)NS(=O)(=O)CCCl.
What is the InChIKey of 2-(2-chloroethylsulfonylamino)-N-propylpropanamide?
The InChIKey is XHVQBYPEUZSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O3S/c1-3-5-10-8(12)7(2)11-15(13,14)6-4-9/h7,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 2-(2-chloroethylsulfonylamino)-N-propylpropanamide?
2-(2-chloroethylsulfonylamino)-N-propylpropanamide has a molecular weight of 256.75 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfonylamino)-N-propylpropanamide is sourced from PubChem (CID 107651325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).