N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide

C10H23N3O3S — CID 122677934

IUPACN-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide
SMILESCC(=O)N(CCCNS(C)(=O)=O)CCN(C)C
InChIInChI=1S/C10H23N3O3S/c1-10(14)13(9-8-12(2)3)7-5-6-11-17(4,15)16/h11H,5-9H2,1-4H3
InChIKeyWJHWVHFJOBBLPA-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.66
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide

N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide (PubChem CID 122677934) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide
PubChem CID122677934
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide
SMILESCC(=O)N(CCCNS(C)(=O)=O)CCN(C)C
InChIInChI=1S/C10H23N3O3S/c1-10(14)13(9-8-12(2)3)7-5-6-11-17(4,15)16/h11H,5-9H2,1-4H3
InChIKeyWJHWVHFJOBBLPA-UHFFFAOYSA-N
XLogP-0.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.66
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

N-[2-(dimethylamino)ethyl]-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113053585
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]propanamide
CID 113053508
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117461
N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113053846
N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide
CID 43546052
N-butyl-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113052446
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 113053636
N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113053614
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117818
N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056623
N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056288
N-[3-[1,4-dihydroxybutan-2-yl(methyl)amino]propyl]methanesulfonamide
CID 23542741

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide (CID 122677934) is N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide is CC(=O)N(CCCNS(C)(=O)=O)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide?
The InChIKey is WJHWVHFJOBBLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(14)13(9-8-12(2)3)7-5-6-11-17(4,15)16/h11H,5-9H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide?
N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide has a molecular weight of 265.38 g/mol, XLogP of -0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[3-(methanesulfonamido)propyl]acetamide is sourced from PubChem (CID 122677934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).