1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide

C9H15N5O3S — CID 2810874

IUPAC1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCN2CCNC2=O)c1
InChIInChI=1S/C9H15N5O3S/c1-13-6-8(11-7-13)18(16,17)12-3-5-14-4-2-10-9(14)15/h6-7,12H,2-5H2,1H3,(H,10,15)
InChIKeyCNXIKYRNARTEBF-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.28
Rot. Bonds5

About 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide

1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 2810874) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide
PubChem CID2810874
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCN2CCNC2=O)c1
InChIInChI=1S/C9H15N5O3S/c1-13-6-8(11-7-13)18(16,17)12-3-5-14-4-2-10-9(14)15/h6-7,12H,2-5H2,1H3,(H,10,15)
InChIKeyCNXIKYRNARTEBF-UHFFFAOYSA-N
XLogP-1.28
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide (CID 2810874) is 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCN2CCNC2=O)c1.
What is the InChIKey of 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is CNXIKYRNARTEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-13-6-8(11-7-13)18(16,17)12-3-5-14-4-2-10-9(14)15/h6-7,12H,2-5H2,1H3,(H,10,15).
What are the key properties of 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide?
1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of -1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 2810874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).