2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine

C7H13N3O2S — CID 54427956

IUPAC2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine
SMILESNCCS(=O)(=O)CCc1ncc[nH]1
InChIInChI=1S/C7H13N3O2S/c8-2-6-13(11,12)5-1-7-9-3-4-10-7/h3-4H,1-2,5-6,8H2,(H,9,10)
InChIKeyWFLLMKSGFAKEGD-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.67
Rot. Bonds5

About 2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine

2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine (PubChem CID 54427956) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine
PubChem CID54427956
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine
SMILESNCCS(=O)(=O)CCc1ncc[nH]1
InChIInChI=1S/C7H13N3O2S/c8-2-6-13(11,12)5-1-7-9-3-4-10-7/h3-4H,1-2,5-6,8H2,(H,9,10)
InChIKeyWFLLMKSGFAKEGD-UHFFFAOYSA-N
XLogP-0.67
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine (CID 54427956) is 2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine is NCCS(=O)(=O)CCc1ncc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine?
The InChIKey is WFLLMKSGFAKEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-2-6-13(11,12)5-1-7-9-3-4-10-7/h3-4H,1-2,5-6,8H2,(H,9,10).
What are the key properties of 2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine?
2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine has a molecular weight of 203.27 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)ethylsulfonyl]ethanamine is sourced from PubChem (CID 54427956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).