1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine

C8H15N3O2S — CID 117191827

IUPAC1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine
SMILESCCn1cc(CS(=O)(=O)CC)nc1N
InChIInChI=1S/C8H15N3O2S/c1-3-11-5-7(10-8(11)9)6-14(12,13)4-2/h5H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeyNTJKHQZNGUFAQE-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.42
Rot. Bonds4

About 1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine

1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine (PubChem CID 117191827) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine
PubChem CID117191827
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine
SMILESCCn1cc(CS(=O)(=O)CC)nc1N
InChIInChI=1S/C8H15N3O2S/c1-3-11-5-7(10-8(11)9)6-14(12,13)4-2/h5H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeyNTJKHQZNGUFAQE-UHFFFAOYSA-N
XLogP0.42
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine?
The IUPAC name of 1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine (CID 117191827) is 1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine?
The canonical SMILES for 1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine is CCn1cc(CS(=O)(=O)CC)nc1N.
What is the InChIKey of 1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine?
The InChIKey is NTJKHQZNGUFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-11-5-7(10-8(11)9)6-14(12,13)4-2/h5H,3-4,6H2,1-2H3,(H2,9,10).
What are the key properties of 1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine?
1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine has a molecular weight of 217.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(ethylsulfonylmethyl)imidazol-2-amine is sourced from PubChem (CID 117191827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).