N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide

C11H20N4O2S — CID 106631158

IUPACN-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESCCN(CC1CCCNC1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H20N4O2S/c1-2-15(8-10-4-3-5-12-6-10)18(16,17)11-7-13-9-14-11/h7,9-10,12H,2-6,8H2,1H3,(H,13,14)
InChIKeyAAZBVZMRLHOTOF-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.42
Rot. Bonds5

About N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide

N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide (PubChem CID 106631158) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
PubChem CID106631158
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESCCN(CC1CCCNC1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H20N4O2S/c1-2-15(8-10-4-3-5-12-6-10)18(16,17)11-7-13-9-14-11/h7,9-10,12H,2-6,8H2,1H3,(H,13,14)
InChIKeyAAZBVZMRLHOTOF-UHFFFAOYSA-N
XLogP0.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(piperidin-4-ylmethyl)-1H-imidazole-5-sulfonamide
CID 79716580
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide
CID 106631087
N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 106630692
5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097
N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639662
N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
CID 106631107
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106609971
N-[3-(diethylamino)propyl]-N-ethyl-1H-imidazole-5-sulfonamide
CID 102995748
2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid
CID 106631065
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide (CID 106631158) is N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide is CCN(CC1CCCNC1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is AAZBVZMRLHOTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-2-15(8-10-4-3-5-12-6-10)18(16,17)11-7-13-9-14-11/h7,9-10,12H,2-6,8H2,1H3,(H,13,14).
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide?
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106631158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).