N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide

C14H24N4O3S — CID 136585214

IUPACN-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ncc[nH]1
InChIInChI=1S/C14H24N4O3S/c19-22(20,14-15-5-6-16-14)17-11-12-3-1-2-4-13(12)18-7-9-21-10-8-18/h5-6,12-13,17H,1-4,7-11H2,(H,15,16)/t12-,13-/m0/s1
InChIKeyRGTRWNHARMVEDM-STQMWFEESA-N
MW328.44 g/mol
LogP0.58
Rot. Bonds5

About N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide

N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide (PubChem CID 136585214) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide
PubChem CID136585214
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ncc[nH]1
InChIInChI=1S/C14H24N4O3S/c19-22(20,14-15-5-6-16-14)17-11-12-3-1-2-4-13(12)18-7-9-21-10-8-18/h5-6,12-13,17H,1-4,7-11H2,(H,15,16)/t12-,13-/m0/s1
InChIKeyRGTRWNHARMVEDM-STQMWFEESA-N
XLogP0.58
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide?
The IUPAC name of N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide (CID 136585214) is N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide.
What is the SMILES notation for N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide?
The canonical SMILES for N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide is O=S(=O)(NC[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ncc[nH]1.
What is the InChIKey of N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide?
The InChIKey is RGTRWNHARMVEDM-STQMWFEESA-N. The full InChI is InChI=1S/C14H24N4O3S/c19-22(20,14-15-5-6-16-14)17-11-12-3-1-2-4-13(12)18-7-9-21-10-8-18/h5-6,12-13,17H,1-4,7-11H2,(H,15,16)/t12-,13-/m0/s1.
What are the key properties of N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide?
N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-1H-imidazole-2-sulfonamide is sourced from PubChem (CID 136585214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).