N,N-dimethyl-1H-imidazole-5-sulfonamide

C5H9N3O2S — CID 54593459

IUPACN,N-dimethyl-1H-imidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-4-7-5/h3-4H,1-2H3,(H,6,7)
InChIKeyLBUFCZMUMBMNFW-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.34
Rot. Bonds2

About N,N-dimethyl-1H-imidazole-5-sulfonamide

N,N-dimethyl-1H-imidazole-5-sulfonamide (PubChem CID 54593459) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is N,N-dimethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1H-imidazole-5-sulfonamide
PubChem CID54593459
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC NameN,N-dimethyl-1H-imidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-4-7-5/h3-4H,1-2H3,(H,6,7)
InChIKeyLBUFCZMUMBMNFW-UHFFFAOYSA-N
XLogP-0.34
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1H-imidazole-5-sulfonamide (CID 54593459) is N,N-dimethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1H-imidazole-5-sulfonamide is CN(C)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N,N-dimethyl-1H-imidazole-5-sulfonamide?
The InChIKey is LBUFCZMUMBMNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-4-7-5/h3-4H,1-2H3,(H,6,7).
What are the key properties of N,N-dimethyl-1H-imidazole-5-sulfonamide?
N,N-dimethyl-1H-imidazole-5-sulfonamide has a molecular weight of 175.21 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 54593459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).