N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

C10H11N5O2S — CID 127993313

IUPACN-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1cnc2n1CCC2
InChIInChI=1S/C10H11N5O2S/c16-18(17,14-10-11-4-2-5-12-10)9-7-13-8-3-1-6-15(8)9/h2,4-5,7H,1,3,6H2,(H,11,12,14)
InChIKeyDOTLDCFTBLEDLO-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.42
Rot. Bonds3

About N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (PubChem CID 127993313) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
PubChem CID127993313
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC NameN-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1cnc2n1CCC2
InChIInChI=1S/C10H11N5O2S/c16-18(17,14-10-11-4-2-5-12-10)9-7-13-8-3-1-6-15(8)9/h2,4-5,7H,1,3,6H2,(H,11,12,14)
InChIKeyDOTLDCFTBLEDLO-UHFFFAOYSA-N
XLogP0.42
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The IUPAC name of N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (CID 127993313) is N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.
What is the SMILES notation for N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The canonical SMILES for N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is O=S(=O)(Nc1ncccn1)c1cnc2n1CCC2.
What is the InChIKey of N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The InChIKey is DOTLDCFTBLEDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c16-18(17,14-10-11-4-2-5-12-10)9-7-13-8-3-1-6-15(8)9/h2,4-5,7H,1,3,6H2,(H,11,12,14).
What are the key properties of N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide has a molecular weight of 265.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is sourced from PubChem (CID 127993313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).