methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate

C11H20N4O4S — CID 107876610

IUPACmethyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate
SMILESCCN(CC)S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
InChIInChI=1S/C11H20N4O4S/c1-4-15(5-2)20(17,18)14-10(11(16)19-3)6-9-7-12-8-13-9/h7-8,10,14H,4-6H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyMKBVJRXJZRFLFJ-JTQLQIEISA-N
MW304.37 g/mol
LogP-0.33
Rot. Bonds8

About methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate

methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate (PubChem CID 107876610) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate
PubChem CID107876610
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Namemethyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate
SMILESCCN(CC)S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
InChIInChI=1S/C11H20N4O4S/c1-4-15(5-2)20(17,18)14-10(11(16)19-3)6-9-7-12-8-13-9/h7-8,10,14H,4-6H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyMKBVJRXJZRFLFJ-JTQLQIEISA-N
XLogP-0.33
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-(difluoromethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoate
CID 114011824
methyl (2S)-2-(cyanomethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoate
CID 114011823
methyl (2S)-3-(1H-imidazol-5-yl)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
CID 107876630
methyl (2S)-3-(1H-imidazol-5-yl)-2-(prop-2-enylsulfonylamino)propanoate
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methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 7020801
methyl (2S)-2-[[2-[ethyl(methyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 142231680
[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 19939260
methyl (2S)-2-(dimethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 107876560
methyl (2S)-3-(1H-imidazol-5-yl)-2-(propan-2-ylcarbamoylamino)propanoate
CID 107876561
(2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 30053681
methyl 3-(1H-imidazol-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 550126
methyl 3-(1H-imidazol-5-yl)-2-(pyrrolidin-1-ylamino)propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate (CID 107876610) is methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate is CCN(CC)S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is MKBVJRXJZRFLFJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-4-15(5-2)20(17,18)14-10(11(16)19-3)6-9-7-12-8-13-9/h7-8,10,14H,4-6H2,1-3H3,(H,12,13)/t10-/m0/s1.
What are the key properties of methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate?
methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 304.37 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 107876610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).