N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide

C12H24N4O2S — CID 120973247

IUPACN-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide
SMILESCN1CCN=C1NCC1CCCCC1NS(C)(=O)=O
InChIInChI=1S/C12H24N4O2S/c1-16-8-7-13-12(16)14-9-10-5-3-4-6-11(10)15-19(2,17)18/h10-11,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyDGTJRYQPASUCLD-UHFFFAOYSA-N
MW288.42 g/mol
LogP-0.01
Rot. Bonds4

About N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide

N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide (PubChem CID 120973247) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide
PubChem CID120973247
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide
SMILESCN1CCN=C1NCC1CCCCC1NS(C)(=O)=O
InChIInChI=1S/C12H24N4O2S/c1-16-8-7-13-12(16)14-9-10-5-3-4-6-11(10)15-19(2,17)18/h10-11,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyDGTJRYQPASUCLD-UHFFFAOYSA-N
XLogP-0.01
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide (CID 120973247) is N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide is CN1CCN=C1NCC1CCCCC1NS(C)(=O)=O.
What is the InChIKey of N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide?
The InChIKey is DGTJRYQPASUCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-16-8-7-13-12(16)14-9-10-5-3-4-6-11(10)15-19(2,17)18/h10-11,15H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide?
N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide has a molecular weight of 288.42 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 120973247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).