N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide

C11H20N4O3S — CID 164641099

IUPACN-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide
SMILESCC[C@@H](Cn1ccnc1)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H20N4O3S/c1-2-11(9-14-4-3-12-10-14)13-19(16,17)15-5-7-18-8-6-15/h3-4,10-11,13H,2,5-9H2,1H3/t11-/m0/s1
InChIKeyDTKQEXJZILBSQE-NSHDSACASA-N
MW288.37 g/mol
LogP-0.17
Rot. Bonds6

About N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide

N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide (PubChem CID 164641099) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide
PubChem CID164641099
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide
SMILESCC[C@@H](Cn1ccnc1)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H20N4O3S/c1-2-11(9-14-4-3-12-10-14)13-19(16,17)15-5-7-18-8-6-15/h3-4,10-11,13H,2,5-9H2,1H3/t11-/m0/s1
InChIKeyDTKQEXJZILBSQE-NSHDSACASA-N
XLogP-0.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide?
The IUPAC name of N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide (CID 164641099) is N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide is CC[C@@H](Cn1ccnc1)NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide?
The InChIKey is DTKQEXJZILBSQE-NSHDSACASA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-2-11(9-14-4-3-12-10-14)13-19(16,17)15-5-7-18-8-6-15/h3-4,10-11,13H,2,5-9H2,1H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide?
N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-ylbutan-2-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 164641099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).