N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

C8H14N4O2S — CID 100627011

IUPACN-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESNCCNS(=O)(=O)c1cnc2n1CCC2
InChIInChI=1S/C8H14N4O2S/c9-3-4-11-15(13,14)8-6-10-7-2-1-5-12(7)8/h6,11H,1-5,9H2
InChIKeyOIDGCNUCZICNGG-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.93
Rot. Bonds4

About N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (PubChem CID 100627011) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
PubChem CID100627011
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESNCCNS(=O)(=O)c1cnc2n1CCC2
InChIInChI=1S/C8H14N4O2S/c9-3-4-11-15(13,14)8-6-10-7-2-1-5-12(7)8/h6,11H,1-5,9H2
InChIKeyOIDGCNUCZICNGG-UHFFFAOYSA-N
XLogP-0.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (CID 100627011) is N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is NCCNS(=O)(=O)c1cnc2n1CCC2.
What is the InChIKey of N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The InChIKey is OIDGCNUCZICNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c9-3-4-11-15(13,14)8-6-10-7-2-1-5-12(7)8/h6,11H,1-5,9H2.
What are the key properties of N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is sourced from PubChem (CID 100627011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).