2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide

C9H16N2O2S2 — CID 79019425

IUPAC2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)CCN
InChIInChI=1S/C9H16N2O2S2/c1-11(15(12,13)8-5-10)6-4-9-3-2-7-14-9/h2-3,7H,4-6,8,10H2,1H3
InChIKeyIHUYSYMRAOSKGK-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.51
Rot. Bonds6

About 2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide

2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide (PubChem CID 79019425) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
PubChem CID79019425
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)CCN
InChIInChI=1S/C9H16N2O2S2/c1-11(15(12,13)8-5-10)6-4-9-3-2-7-14-9/h2-3,7H,4-6,8,10H2,1H3
InChIKeyIHUYSYMRAOSKGK-UHFFFAOYSA-N
XLogP0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602
3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
CID 79019132
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
CID 79494758
1-(2-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 110733491
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide
CID 79487831
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide (CID 79019425) is 2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide is CN(CCc1cccs1)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The InChIKey is IHUYSYMRAOSKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-11(15(12,13)8-5-10)6-4-9-3-2-7-14-9/h2-3,7H,4-6,8,10H2,1H3.
What are the key properties of 2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide has a molecular weight of 248.37 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide is sourced from PubChem (CID 79019425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).