1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide

C9H17N3O3S — CID 83030926

IUPAC1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC[C@H](C)O)nc1C
InChIInChI=1S/C9H17N3O3S/c1-4-12-6-9(11-8(12)3)16(14,15)10-5-7(2)13/h6-7,10,13H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyUMABVKNUXSXJDI-ZETCQYMHSA-N
MW247.32 g/mol
LogP-0.13
Rot. Bonds5

About 1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide

1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide (PubChem CID 83030926) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
PubChem CID83030926
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC[C@H](C)O)nc1C
InChIInChI=1S/C9H17N3O3S/c1-4-12-6-9(11-8(12)3)16(14,15)10-5-7(2)13/h6-7,10,13H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyUMABVKNUXSXJDI-ZETCQYMHSA-N
XLogP-0.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide (CID 83030926) is 1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC[C@H](C)O)nc1C.
What is the InChIKey of 1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is UMABVKNUXSXJDI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-4-12-6-9(11-8(12)3)16(14,15)10-5-7(2)13/h6-7,10,13H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of 1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide?
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 83030926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).