[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine

C8H15N3O2S — CID 106718001

IUPAC[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine
SMILESCCS(=O)(=O)CCn1cnc(CN)c1
InChIInChI=1S/C8H15N3O2S/c1-2-14(12,13)4-3-11-6-8(5-9)10-7-11/h6-7H,2-5,9H2,1H3
InChIKeyPVCKPZVSKJWALE-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.22
Rot. Bonds5

About [1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine

[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine (PubChem CID 106718001) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is [1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine
PubChem CID106718001
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine
SMILESCCS(=O)(=O)CCn1cnc(CN)c1
InChIInChI=1S/C8H15N3O2S/c1-2-14(12,13)4-3-11-6-8(5-9)10-7-11/h6-7H,2-5,9H2,1H3
InChIKeyPVCKPZVSKJWALE-UHFFFAOYSA-N
XLogP-0.22
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-ethylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 79983250
N-ethyl-2-[1-(2-ethylsulfonylethyl)imidazol-4-yl]ethanamine
CID 106729436
(1-butylimidazol-4-yl)methanamine
CID 82467842
1-(2-ethylsulfonylethyl)-4-nitroimidazole
CID 10082708
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
CID 106718661
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
CID 106717943
N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine
CID 79984944
1-(2-propylsulfonylethyl)imidazole-4-carbaldehyde
CID 106716663
1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole
CID 106720710
N-[[1-(3-ethylsulfonylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720370

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine (CID 106718001) is [1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine is CCS(=O)(=O)CCn1cnc(CN)c1.
What is the InChIKey of [1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine?
The InChIKey is PVCKPZVSKJWALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-14(12,13)4-3-11-6-8(5-9)10-7-11/h6-7H,2-5,9H2,1H3.
What are the key properties of [1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine?
[1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine has a molecular weight of 217.29 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfonylethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 106718001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).