2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide

C11H20N4O2S — CID 106334710

IUPAC2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1cncn1C1CC1
InChIInChI=1S/C11H20N4O2S/c1-2-14-18(16,17)6-5-12-7-11-8-13-9-15(11)10-3-4-10/h8-10,12,14H,2-7H2,1H3
InChIKeyPLLHNMQXYJDXJL-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.25
Rot. Bonds8

About 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide

2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide (PubChem CID 106334710) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide
PubChem CID106334710
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1cncn1C1CC1
InChIInChI=1S/C11H20N4O2S/c1-2-14-18(16,17)6-5-12-7-11-8-13-9-15(11)10-3-4-10/h8-10,12,14H,2-7H2,1H3
InChIKeyPLLHNMQXYJDXJL-UHFFFAOYSA-N
XLogP0.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Cyclopropyl-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862551
2-(Cyclopropylmethyl)-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862552
N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}propane-1-sulfonamide
CID 91923976
N-((1-methyl-1H-imidazol-5-yl)methyl)cyclopropanamine
CID 62998420
((1-cyclopropyl-1H-imidazol-5-yl)methyl)(methyl)amine
CID 66162665
((1-cyclopropyl-1H-imidazol-4-yl)methyl)(methyl)amine
CID 83872516
N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-1-propanesulfonamide
CID 91911722
N-[2-(5-Methyl-1-propyl-1H-imidazol-2-YL)ethyl]propane-1-sulfonamide
CID 91911724
N-{2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethyl}propane-1-sulfonamide
CID 91923947
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]ethanesulfonamide
CID 91923948
N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}ethane-1-sulfonamide
CID 124056550
N-[2-(1-Cyclobutyl-5-methyl-1H-imidazol-2-YL)ethyl]propane-2-sulfonamide
CID 124060950

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide (CID 106334710) is 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNCc1cncn1C1CC1.
What is the InChIKey of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide?
The InChIKey is PLLHNMQXYJDXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-2-14-18(16,17)6-5-12-7-11-8-13-9-15(11)10-3-4-10/h8-10,12,14H,2-7H2,1H3.
What are the key properties of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide?
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106334710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).