2-methylsulfonyl-1H-imidazol-5-amine

C4H7N3O2S — CID 117189336

IUPAC2-methylsulfonyl-1H-imidazol-5-amine
SMILESCS(=O)(=O)c1ncc(N)[nH]1
InChIInChI=1S/C4H7N3O2S/c1-10(8,9)4-6-2-3(5)7-4/h2H,5H2,1H3,(H,6,7)
InChIKeyKNUNKUAJIMEEAI-UHFFFAOYSA-N
MW161.19 g/mol
LogP-0.60
Rot. Bonds1

About 2-methylsulfonyl-1H-imidazol-5-amine

2-methylsulfonyl-1H-imidazol-5-amine (PubChem CID 117189336) has the molecular formula C4H7N3O2S and a molecular weight of 161.19 g/mol. Its IUPAC name is 2-methylsulfonyl-1H-imidazol-5-amine.

Molecular Properties

Compound Name2-methylsulfonyl-1H-imidazol-5-amine
PubChem CID117189336
Molecular FormulaC4H7N3O2S
Molecular Weight161.19 g/mol
Exact Mass161.03
IUPAC Name2-methylsulfonyl-1H-imidazol-5-amine
SMILESCS(=O)(=O)c1ncc(N)[nH]1
InChIInChI=1S/C4H7N3O2S/c1-10(8,9)4-6-2-3(5)7-4/h2H,5H2,1H3,(H,6,7)
InChIKeyKNUNKUAJIMEEAI-UHFFFAOYSA-N
XLogP-0.60
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1H-imidazol-5-amine?
The IUPAC name of 2-methylsulfonyl-1H-imidazol-5-amine (CID 117189336) is 2-methylsulfonyl-1H-imidazol-5-amine.
What is the SMILES notation for 2-methylsulfonyl-1H-imidazol-5-amine?
The canonical SMILES for 2-methylsulfonyl-1H-imidazol-5-amine is CS(=O)(=O)c1ncc(N)[nH]1.
What is the InChIKey of 2-methylsulfonyl-1H-imidazol-5-amine?
The InChIKey is KNUNKUAJIMEEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S/c1-10(8,9)4-6-2-3(5)7-4/h2H,5H2,1H3,(H,6,7).
What are the key properties of 2-methylsulfonyl-1H-imidazol-5-amine?
2-methylsulfonyl-1H-imidazol-5-amine has a molecular weight of 161.19 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1H-imidazol-5-amine is sourced from PubChem (CID 117189336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).