N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide

C11H24N2O3S — CID 112695679

IUPACN,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCCS(=O)(=O)CC
InChIInChI=1S/C11H24N2O3S/c1-4-13(5-2)11(14)7-8-12-9-10-17(15,16)6-3/h12H,4-10H2,1-3H3
InChIKeyKVDXXCMDNYKOSW-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.27
Rot. Bonds9

About N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide

N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide (PubChem CID 112695679) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
PubChem CID112695679
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCCS(=O)(=O)CC
InChIInChI=1S/C11H24N2O3S/c1-4-13(5-2)11(14)7-8-12-9-10-17(15,16)6-3/h12H,4-10H2,1-3H3
InChIKeyKVDXXCMDNYKOSW-UHFFFAOYSA-N
XLogP0.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.27
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,N-diethyl-3-(heptylamino)propanamide
CID 54936007
3-(chloromethylsulfonylamino)-N,N-diethylpropanamide
CID 63665762
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
N-[2-(2-ethylsulfonylethylamino)ethyl]acetamide
CID 43807754
N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide
CID 81419108
2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide
CID 106724307
N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide
CID 54901013
ethyl 3-(2-propylsulfonylethylamino)propanoate
CID 106723560
3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide
CID 113411328
3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 112685323

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide (CID 112695679) is N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide is CCN(CC)C(=O)CCNCCS(=O)(=O)CC.
What is the InChIKey of N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide?
The InChIKey is KVDXXCMDNYKOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-13(5-2)11(14)7-8-12-9-10-17(15,16)6-3/h12H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide?
N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide has a molecular weight of 264.39 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,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide is sourced from PubChem (CID 112695679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).