N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide

C11H18N4O4S — CID 125435518

IUPACN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCC(=O)N1CCO[C@@H](CNS(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C11H18N4O4S/c1-9(16)15-3-4-19-10(6-15)5-13-20(17,18)11-7-14(2)8-12-11/h7-8,10,13H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyNKGWMFBMBGTQLQ-JTQLQIEISA-N
MW302.36 g/mol
LogP-1.05
Rot. Bonds4

About N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide

N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 125435518) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
PubChem CID125435518
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCC(=O)N1CCO[C@@H](CNS(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C11H18N4O4S/c1-9(16)15-3-4-19-10(6-15)5-13-20(17,18)11-7-14(2)8-12-11/h7-8,10,13H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyNKGWMFBMBGTQLQ-JTQLQIEISA-N
XLogP-1.05
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]imidazole-4-sulfonamide
CID 131647944
N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide
CID 125435531
1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125163832
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 62541638
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
CID 119624053
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275
N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-1-methylimidazole-4-sulfonamide;hydrochloride
CID 119637781
2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 81211759
N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
CID 115362968
N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 118785820

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide (CID 125435518) is N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide is CC(=O)N1CCO[C@@H](CNS(=O)(=O)c2cn(C)cn2)C1.
What is the InChIKey of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is NKGWMFBMBGTQLQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-9(16)15-3-4-19-10(6-15)5-13-20(17,18)11-7-14(2)8-12-11/h7-8,10,13H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 125435518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).