N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine

C10H19N3O2S — CID 115622275

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1nccn1CC
InChIInChI=1S/C10H19N3O2S/c1-4-11-9(8-16(3,14)15)10-12-6-7-13(10)5-2/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyHUPDWOVWNSSQFD-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.60
Rot. Bonds6

About N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine

N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine (PubChem CID 115622275) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine
PubChem CID115622275
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine
SMILESCCNC(CS(C)(=O)=O)c1nccn1CC
InChIInChI=1S/C10H19N3O2S/c1-4-11-9(8-16(3,14)15)10-12-6-7-13(10)5-2/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyHUPDWOVWNSSQFD-UHFFFAOYSA-N
XLogP0.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 115622276
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine
CID 63967928
3-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 105149887
N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032819
N-ethyl-1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanamine
CID 63968337
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
[1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine
CID 105308338
N-ethyl-1-(1-propylimidazol-2-yl)nonan-1-amine
CID 115859033
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 105149854
N-ethyl-4-(1-ethylimidazol-2-yl)pentan-2-amine
CID 64721202
(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide
CID 97177386
2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 63968122

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine (CID 115622275) is N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine is CCNC(CS(C)(=O)=O)c1nccn1CC.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine?
The InChIKey is HUPDWOVWNSSQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-11-9(8-16(3,14)15)10-12-6-7-13(10)5-2/h6-7,9,11H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine?
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine has a molecular weight of 245.35 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine is sourced from PubChem (CID 115622275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).