N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide

C11H20N4O3S — CID 164630363

IUPACN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide
SMILESCC[C@H](NS(=O)(=O)N1CCOCC1)c1ncc(C)[nH]1
InChIInChI=1S/C11H20N4O3S/c1-3-10(11-12-8-9(2)13-11)14-19(16,17)15-4-6-18-7-5-15/h8,10,14H,3-7H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyVMKFSPSQWNECQW-JTQLQIEISA-N
MW288.37 g/mol
LogP0.34
Rot. Bonds5

About N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide

N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide (PubChem CID 164630363) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide
PubChem CID164630363
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide
SMILESCC[C@H](NS(=O)(=O)N1CCOCC1)c1ncc(C)[nH]1
InChIInChI=1S/C11H20N4O3S/c1-3-10(11-12-8-9(2)13-11)14-19(16,17)15-4-6-18-7-5-15/h8,10,14H,3-7H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyVMKFSPSQWNECQW-JTQLQIEISA-N
XLogP0.34
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide (CID 164630363) is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide is CC[C@H](NS(=O)(=O)N1CCOCC1)c1ncc(C)[nH]1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide?
The InChIKey is VMKFSPSQWNECQW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-10(11-12-8-9(2)13-11)14-19(16,17)15-4-6-18-7-5-15/h8,10,14H,3-7H2,1-2H3,(H,12,13)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide?
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]morpholine-4-sulfonamide is sourced from PubChem (CID 164630363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).