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

C11H20N4O2S — CID 114955867

IUPAC2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CNCCC2C)[nH]1
InChIInChI=1S/C11H20N4O2S/c1-8-3-4-12-5-10(8)6-14-18(16,17)11-7-13-9(2)15-11/h7-8,10,12,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyFVKVLCJMSGRCSW-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.24
Rot. Bonds4

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

2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 114955867) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID114955867
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CNCCC2C)[nH]1
InChIInChI=1S/C11H20N4O2S/c1-8-3-4-12-5-10(8)6-14-18(16,17)11-7-13-9(2)15-11/h7-8,10,12,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyFVKVLCJMSGRCSW-UHFFFAOYSA-N
XLogP0.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 114955854
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113271323
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178
3,5-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 114955864
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 114955897
N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114955865
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908329
N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
CID 114955845
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide (CID 114955867) is 2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2CNCCC2C)[nH]1.
What is the InChIKey of 2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is FVKVLCJMSGRCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-3-4-12-5-10(8)6-14-18(16,17)11-7-13-9(2)15-11/h7-8,10,12,14H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114955867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).