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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Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63766954
N-(2-bromoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 80669052
3-[cyclopropyl-(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62066992
N-(2-aminoethyl)-1-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 107493921
N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide
CID 62064079
N-(3-aminopropyl)-2-methyl-N-propan-2-yl-1-propylimidazole-4-sulfonamide
CID 62063542
N-(3-aminopropyl)-N-cyclopentyl-1-methylimidazole-4-sulfonamide
CID 62374937
1-ethyl-N,N-bis(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide
CID 55030676
N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide
CID 62062479
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide
CID 62062243
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 62064992
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperidin-2-amine
CID 107070823

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).