N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide

C13H24N4O2S — CID 63766954

IUPACN-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCN)C2CCCC2)nc1C
InChIInChI=1S/C13H24N4O2S/c1-3-16-10-13(15-11(16)2)20(18,19)17(9-8-14)12-6-4-5-7-12/h10,12H,3-9,14H2,1-2H3
InChIKeyFQWYJPMCGMZSPO-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.10
Rot. Bonds6

About N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide

N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 63766954) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID63766954
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCN)C2CCCC2)nc1C
InChIInChI=1S/C13H24N4O2S/c1-3-16-10-13(15-11(16)2)20(18,19)17(9-8-14)12-6-4-5-7-12/h10,12H,3-9,14H2,1-2H3
InChIKeyFQWYJPMCGMZSPO-UHFFFAOYSA-N
XLogP1.10
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide (CID 63766954) is N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCN)C2CCCC2)nc1C.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is FQWYJPMCGMZSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-16-10-13(15-11(16)2)20(18,19)17(9-8-14)12-6-4-5-7-12/h10,12H,3-9,14H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63766954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).