N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide

C8H15N3O3S — CID 83031032

IUPACN-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC[C@H](C)O)cn1C
InChIInChI=1S/C8H15N3O3S/c1-6(12)4-9-15(13,14)8-5-11(3)7(2)10-8/h5-6,9,12H,4H2,1-3H3/t6-/m0/s1
InChIKeyZKFYLUMOQHGNSH-LURJTMIESA-N
MW233.29 g/mol
LogP-0.61
Rot. Bonds4

About N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide

N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 83031032) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID83031032
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC NameN-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NC[C@H](C)O)cn1C
InChIInChI=1S/C8H15N3O3S/c1-6(12)4-9-15(13,14)8-5-11(3)7(2)10-8/h5-6,9,12H,4H2,1-3H3/t6-/m0/s1
InChIKeyZKFYLUMOQHGNSH-LURJTMIESA-N
XLogP-0.61
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide (CID 83031032) is N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NC[C@H](C)O)cn1C.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is ZKFYLUMOQHGNSH-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-6(12)4-9-15(13,14)8-5-11(3)7(2)10-8/h5-6,9,12H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 83031032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).