1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide

C12H22N4O2S — CID 114700170

IUPAC1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC2CCNCC2C)c1
InChIInChI=1S/C12H22N4O2S/c1-3-16-8-12(14-9-16)19(17,18)15-7-11-4-5-13-6-10(11)2/h8-11,13,15H,3-7H2,1-2H3
InChIKeyGVTKDPXTOWWGMI-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.43
Rot. Bonds5

About 1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide

1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide (PubChem CID 114700170) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
PubChem CID114700170
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC2CCNCC2C)c1
InChIInChI=1S/C12H22N4O2S/c1-3-16-8-12(14-9-16)19(17,18)15-7-11-4-5-13-6-10(11)2/h8-11,13,15H,3-7H2,1-2H3
InChIKeyGVTKDPXTOWWGMI-UHFFFAOYSA-N
XLogP0.43
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 79373105
1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide
CID 79373655
1-ethyl-N-[(3-hydroxycyclobutyl)methyl]imidazole-4-sulfonamide
CID 79372781
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899
1-ethyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide;dihydrochloride
CID 119966513
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
CID 120723340
2-methyl-N-[(3-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 114700187
N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide
CID 114294574
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-ethylimidazole-4-sulfonamide
CID 114758683
1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide
CID 79372684
N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide
CID 96566607
N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 106846497

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide (CID 114700170) is 1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCC2CCNCC2C)c1.
What is the InChIKey of 1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is GVTKDPXTOWWGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-16-8-12(14-9-16)19(17,18)15-7-11-4-5-13-6-10(11)2/h8-11,13,15H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3-methylpiperidin-4-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 114700170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).