N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide

C11H20N2O2S2 — CID 54973764

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NC(C)c1cc(C)sc1C
InChIInChI=1S/C11H20N2O2S2/c1-8-7-11(10(3)16-8)9(2)13-17(14,15)6-5-12-4/h7,9,12-13H,5-6H2,1-4H3
InChIKeyGWVZGQFTZHXRBY-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.56
Rot. Bonds6

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide (PubChem CID 54973764) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide
PubChem CID54973764
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NC(C)c1cc(C)sc1C
InChIInChI=1S/C11H20N2O2S2/c1-8-7-11(10(3)16-8)9(2)13-17(14,15)6-5-12-4/h7,9,12-13H,5-6H2,1-4H3
InChIKeyGWVZGQFTZHXRBY-UHFFFAOYSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide (CID 54973764) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)NC(C)c1cc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide?
The InChIKey is GWVZGQFTZHXRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-8-7-11(10(3)16-8)9(2)13-17(14,15)6-5-12-4/h7,9,12-13H,5-6H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 54973764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).