N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide

C11H25N3O3S — CID 54903444

IUPACN-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C11H25N3O3S/c1-5-13(3)11(15)10-12-8-7-9-14(6-2)18(4,16)17/h12H,5-10H2,1-4H3
InChIKeyMDULECJLZCSNHK-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.27
Rot. Bonds9

About N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide

N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide (PubChem CID 54903444) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
PubChem CID54903444
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C11H25N3O3S/c1-5-13(3)11(15)10-12-8-7-9-14(6-2)18(4,16)17/h12H,5-10H2,1-4H3
InChIKeyMDULECJLZCSNHK-UHFFFAOYSA-N
XLogP-0.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.27
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-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
CID 61488529
N-ethyl-2-(5-hydroxypentylamino)-N-methylacetamide
CID 107317457
N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide
CID 79168502
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
N-ethyl-N-methyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62639952
N-ethyl-N-methyl-2-(5-methylhexylamino)acetamide
CID 115325314
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903483
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62727869
3-[ethyl(methylsulfonyl)amino]propanoic acid
CID 39239435
N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide
CID 61013654
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide (CID 54903444) is N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide is CCN(C)C(=O)CNCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide?
The InChIKey is MDULECJLZCSNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-5-13(3)11(15)10-12-8-7-9-14(6-2)18(4,16)17/h12H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide?
N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide has a molecular weight of 279.41 g/mol, XLogP of -0.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide is sourced from PubChem (CID 54903444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).