N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine

C9H17N3O2S — CID 106718661

IUPACN-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCS(C)(=O)=O)cn1
InChIInChI=1S/C9H17N3O2S/c1-3-10-6-9-7-12(8-11-9)4-5-15(2,13)14/h7-8,10H,3-6H2,1-2H3
InChIKeyJMQRTMGBNNOSEJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.04
Rot. Bonds6

About N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine

N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 106718661) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
PubChem CID106718661
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCS(C)(=O)=O)cn1
InChIInChI=1S/C9H17N3O2S/c1-3-10-6-9-7-12(8-11-9)4-5-15(2,13)14/h7-8,10H,3-6H2,1-2H3
InChIKeyJMQRTMGBNNOSEJ-UHFFFAOYSA-N
XLogP0.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine
CID 79984944
methyl 3-[4-(ethylaminomethyl)imidazol-1-yl]propanoate
CID 106718603
N-ethyl-2-[1-(2-ethylsulfonylethyl)imidazol-4-yl]ethanamine
CID 106729436
N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718905
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719755
[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine
CID 106718001
N-[[1-(3-ethylsulfonylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720370
N-[[1-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718792
N-[[1-(3-morpholin-4-ylpropyl)imidazol-4-yl]methyl]ethanamine
CID 114203930
3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
CID 106718572

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine (CID 106718661) is N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cn(CCS(C)(=O)=O)cn1.
What is the InChIKey of N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is JMQRTMGBNNOSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-10-6-9-7-12(8-11-9)4-5-15(2,13)14/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine?
N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 231.32 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).