N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide

C11H20N2O2S2 — CID 54972047

IUPACN-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)N(CC)Cc1cccs1
InChIInChI=1S/C11H20N2O2S2/c1-3-12-7-9-17(14,15)13(4-2)10-11-6-5-8-16-11/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyBETBQZSOFNJHLO-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.51
Rot. Bonds8

About N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide

N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide (PubChem CID 54972047) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide
PubChem CID54972047
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)N(CC)Cc1cccs1
InChIInChI=1S/C11H20N2O2S2/c1-3-12-7-9-17(14,15)13(4-2)10-11-6-5-8-16-11/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyBETBQZSOFNJHLO-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.51
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-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
N-ethyl-2-(ethylamino)-N-(furan-2-ylmethyl)ethanesulfonamide
CID 54972545
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 61114484
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 62834920
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide
CID 116815238
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189
N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 54971999
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide?
The IUPAC name of N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide (CID 54972047) is N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide is CCNCCS(=O)(=O)N(CC)Cc1cccs1.
What is the InChIKey of N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide?
The InChIKey is BETBQZSOFNJHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-3-12-7-9-17(14,15)13(4-2)10-11-6-5-8-16-11/h5-6,8,12H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide?
N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 54972047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).