N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide

C12H22N4O2S — CID 55030771

IUPACN-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCCN)C2CC2)nc1C
InChIInChI=1S/C12H22N4O2S/c1-3-15-9-12(14-10(15)2)19(17,18)16(8-4-7-13)11-5-6-11/h9,11H,3-8,13H2,1-2H3
InChIKeyXJEOLQCQXDUCOG-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.71
Rot. Bonds7

About N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide

N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 55030771) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID55030771
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCCN)C2CC2)nc1C
InChIInChI=1S/C12H22N4O2S/c1-3-15-9-12(14-10(15)2)19(17,18)16(8-4-7-13)11-5-6-11/h9,11H,3-8,13H2,1-2H3
InChIKeyXJEOLQCQXDUCOG-UHFFFAOYSA-N
XLogP0.71
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide (CID 55030771) is N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCCN)C2CC2)nc1C.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is XJEOLQCQXDUCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-15-9-12(14-10(15)2)19(17,18)16(8-4-7-13)11-5-6-11/h9,11H,3-8,13H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 55030771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).