1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine

C8H15N3O3S — CID 165473501

IUPAC1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine
SMILESCOCCS(=O)(=O)CCn1ccnc1N
InChIInChI=1S/C8H15N3O3S/c1-14-5-7-15(12,13)6-4-11-3-2-10-8(11)9/h2-3H,4-7H2,1H3,(H2,9,10)
InChIKeyOWFCCHWRVFGZBQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.47
Rot. Bonds6

About 1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine

1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine (PubChem CID 165473501) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine
PubChem CID165473501
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine
SMILESCOCCS(=O)(=O)CCn1ccnc1N
InChIInChI=1S/C8H15N3O3S/c1-14-5-7-15(12,13)6-4-11-3-2-10-8(11)9/h2-3H,4-7H2,1H3,(H2,9,10)
InChIKeyOWFCCHWRVFGZBQ-UHFFFAOYSA-N
XLogP-0.47
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine
CID 81175865
1-benzyl-2-(2-methoxyethylsulfonylmethyl)imidazole
CID 86989667
1-butylimidazol-2-amine
CID 60860613
1-pentylimidazol-2-amine
CID 61354351
3-[2-(2-methylimidazol-1-yl)ethylsulfonyl]propanoic acid
CID 61493428
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
4-(2-aminoimidazol-1-yl)butanal
CID 55253480
1-(3-phenylmethoxypropyl)imidazol-2-amine
CID 165466096
1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine
CID 142479985
1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
CID 56889384
methyl 3-(2-aminoimidazol-1-yl)-2,2-dimethylpropanoate
CID 165473447
1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine
CID 165473463

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine?
The IUPAC name of 1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine (CID 165473501) is 1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine is COCCS(=O)(=O)CCn1ccnc1N.
What is the InChIKey of 1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine?
The InChIKey is OWFCCHWRVFGZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-14-5-7-15(12,13)6-4-11-3-2-10-8(11)9/h2-3H,4-7H2,1H3,(H2,9,10).
What are the key properties of 1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine?
1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine has a molecular weight of 233.29 g/mol, XLogP of -0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylsulfonyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 165473501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).