N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide

C11H21N5O2S — CID 62374091

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C11H21N5O2S/c1-15-5-3-11(8-12,4-6-15)14-19(17,18)10-7-16(2)9-13-10/h7,9,14H,3-6,8,12H2,1-2H3
InChIKeyZPRUXPJPBYSHOG-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.88
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 62374091) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide
PubChem CID62374091
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C11H21N5O2S/c1-15-5-3-11(8-12,4-6-15)14-19(17,18)10-7-16(2)9-13-10/h7,9,14H,3-6,8,12H2,1-2H3
InChIKeyZPRUXPJPBYSHOG-UHFFFAOYSA-N
XLogP-0.88
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-1-methyl-4-(sulfamoylamino)piperidine
CID 28940572
N-[4-(aminomethyl)oxan-4-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 106297757
1-[(1-methylimidazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62374453
N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 62666691
N-(1-cyanocyclooctyl)-1-methylimidazole-4-sulfonamide
CID 62375456
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]cyclohexanesulfonamide
CID 61065630
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 62374778
N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
CID 15100236
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-methylimidazole-4-sulfonamide
CID 114758687
1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
CID 18961157
N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide
CID 62373444
N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
CID 115881173

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide (CID 62374091) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide is CN1CCC(CN)(NS(=O)(=O)c2cn(C)cn2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is ZPRUXPJPBYSHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-15-5-3-11(8-12,4-6-15)14-19(17,18)10-7-16(2)9-13-10/h7,9,14H,3-6,8,12H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62374091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).