2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide

C12H22N4O2S — CID 114955854

IUPAC2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC2CNCCC2C)[nH]1
InChIInChI=1S/C12H22N4O2S/c1-3-11-14-8-12(16-11)19(17,18)15-7-10-6-13-5-4-9(10)2/h8-10,13,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyGGCGRMXWJSGEAC-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.50
Rot. Bonds5

About 2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 114955854) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID114955854
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC2CNCCC2C)[nH]1
InChIInChI=1S/C12H22N4O2S/c1-3-11-14-8-12(16-11)19(17,18)15-7-10-6-13-5-4-9(10)2/h8-10,13,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyGGCGRMXWJSGEAC-UHFFFAOYSA-N
XLogP0.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955867
N-[(3-chlorocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 66004609
N-[(3-aminocyclobutyl)methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 66005194
N-(2-cyclopropylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 113476004
2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 114955897
3,5-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 114955864
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114955865

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide (CID 114955854) is 2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCC2CNCCC2C)[nH]1.
What is the InChIKey of 2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is GGCGRMXWJSGEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-11-14-8-12(16-11)19(17,18)15-7-10-6-13-5-4-9(10)2/h8-10,13,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114955854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).