2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide

C10H19N3O3S — CID 79246204

IUPAC2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N[C@H](CO)C(C)C)[nH]1
InChIInChI=1S/C10H19N3O3S/c1-4-9-11-5-10(12-9)17(15,16)13-8(6-14)7(2)3/h5,7-8,13-14H,4,6H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyYLIKEOXQJAPUTP-MRVPVSSYSA-N
MW261.35 g/mol
LogP0.27
Rot. Bonds6

About 2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide (PubChem CID 79246204) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide
PubChem CID79246204
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N[C@H](CO)C(C)C)[nH]1
InChIInChI=1S/C10H19N3O3S/c1-4-9-11-5-10(12-9)17(15,16)13-8(6-14)7(2)3/h5,7-8,13-14H,4,6H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyYLIKEOXQJAPUTP-MRVPVSSYSA-N
XLogP0.27
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80749768
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107868964
2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
CID 107232013
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106229017
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 79027971
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 113430471
N-(2-chloro-1-phenylethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65030918
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide (CID 79246204) is 2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N[C@H](CO)C(C)C)[nH]1.
What is the InChIKey of 2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is YLIKEOXQJAPUTP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-4-9-11-5-10(12-9)17(15,16)13-8(6-14)7(2)3/h5,7-8,13-14H,4,6H2,1-3H3,(H,11,12)/t8-/m1/s1.
What are the key properties of 2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79246204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).