methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate

C10H17N3O5S — CID 62065532

IUPACmethyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate
SMILESCCn1cc(S(=O)(=O)NC(CO)C(=O)OC)nc1C
InChIInChI=1S/C10H17N3O5S/c1-4-13-5-9(11-7(13)2)19(16,17)12-8(6-14)10(15)18-3/h5,8,12,14H,4,6H2,1-3H3
InChIKeyVDXXFEYCGAXKSR-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.98
Rot. Bonds6

About methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate

methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate (PubChem CID 62065532) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate
PubChem CID62065532
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Namemethyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate
SMILESCCn1cc(S(=O)(=O)NC(CO)C(=O)OC)nc1C
InChIInChI=1S/C10H17N3O5S/c1-4-13-5-9(11-7(13)2)19(16,17)12-8(6-14)10(15)18-3/h5,8,12,14H,4,6H2,1-3H3
InChIKeyVDXXFEYCGAXKSR-UHFFFAOYSA-N
XLogP-0.98
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
CID 62064468
1-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylimidazole-4-sulfonamide
CID 103887499
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356
N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 65030909
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
CID 55030199
N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114419083
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 83179208
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide
CID 104600270
N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64539580
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62666905

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate (CID 62065532) is methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate is CCn1cc(S(=O)(=O)NC(CO)C(=O)OC)nc1C.
What is the InChIKey of methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate?
The InChIKey is VDXXFEYCGAXKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-4-13-5-9(11-7(13)2)19(16,17)12-8(6-14)10(15)18-3/h5,8,12,14H,4,6H2,1-3H3.
What are the key properties of methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate?
methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate has a molecular weight of 291.33 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate is sourced from PubChem (CID 62065532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).