2-propan-2-yl-1H-imidazole-5-sulfonamide

C6H11N3O2S — CID 79472608

IUPAC2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ncc(S(N)(=O)=O)[nH]1
InChIInChI=1S/C6H11N3O2S/c1-4(2)6-8-3-5(9-6)12(7,10)11/h3-4H,1-2H3,(H,8,9)(H2,7,10,11)
InChIKeyCJWQDUDKDCRTSI-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.18
Rot. Bonds2

About 2-propan-2-yl-1H-imidazole-5-sulfonamide

2-propan-2-yl-1H-imidazole-5-sulfonamide (PubChem CID 79472608) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-propan-2-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-propan-2-yl-1H-imidazole-5-sulfonamide
PubChem CID79472608
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ncc(S(N)(=O)=O)[nH]1
InChIInChI=1S/C6H11N3O2S/c1-4(2)6-8-3-5(9-6)12(7,10)11/h3-4H,1-2H3,(H,8,9)(H2,7,10,11)
InChIKeyCJWQDUDKDCRTSI-UHFFFAOYSA-N
XLogP0.18
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-propan-2-yl-1H-imidazole-5-sulfonamide (CID 79472608) is 2-propan-2-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-propan-2-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-propan-2-yl-1H-imidazole-5-sulfonamide is CC(C)c1ncc(S(N)(=O)=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-1H-imidazole-5-sulfonamide?
The InChIKey is CJWQDUDKDCRTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-4(2)6-8-3-5(9-6)12(7,10)11/h3-4H,1-2H3,(H,8,9)(H2,7,10,11).
What are the key properties of 2-propan-2-yl-1H-imidazole-5-sulfonamide?
2-propan-2-yl-1H-imidazole-5-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79472608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).