2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride

C9H22ClN3O3S — CID 119431251

IUPAC2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride
SMILESCCS(=O)(=O)N(C)CC(=O)NCCCNC.Cl
InChIInChI=1S/C9H21N3O3S.ClH/c1-4-16(14,15)12(3)8-9(13)11-7-5-6-10-2;/h10H,4-8H2,1-3H3,(H,11,13);1H
InChIKeyXTVJLLJNHPZRNN-UHFFFAOYSA-N
MW287.81 g/mol
LogP-0.58
Rot. Bonds8

About 2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride

2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 119431251) has the molecular formula C9H22ClN3O3S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride
PubChem CID119431251
Molecular FormulaC9H22ClN3O3S
Molecular Weight287.81 g/mol
Exact Mass287.11
IUPAC Name2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride
SMILESCCS(=O)(=O)N(C)CC(=O)NCCCNC.Cl
InChIInChI=1S/C9H21N3O3S.ClH/c1-4-16(14,15)12(3)8-9(13)11-7-5-6-10-2;/h10H,4-8H2,1-3H3,(H,11,13);1H
InChIKeyXTVJLLJNHPZRNN-UHFFFAOYSA-N
XLogP-0.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-N-[3-(methylamino)propyl]acetamide
CID 119429887
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
N-[3-(methylamino)propyl]butanamide
CID 43600791
N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119627585
3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid
CID 60952620
2-(diethylamino)-N-[3-[[2-(diethylamino)acetyl]amino]propyl]acetamide;dihydrochloride
CID 24832330
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
N-[3-(methylamino)propyl]octadecanamide;methyl hydrogen sulfate
CID 174942610
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide
CID 54952205
5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 119234156
(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride
CID 119292329
2-(dimethylamino)-N-octadecylacetamide;ethane
CID 90860669

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride (CID 119431251) is 2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride is CCS(=O)(=O)N(C)CC(=O)NCCCNC.Cl.
What is the InChIKey of 2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is XTVJLLJNHPZRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S.ClH/c1-4-16(14,15)12(3)8-9(13)11-7-5-6-10-2;/h10H,4-8H2,1-3H3,(H,11,13);1H.
What are the key properties of 2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride?
2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 287.81 g/mol, XLogP of -0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119431251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).